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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:41:17 UTC

Update Date

2022-03-07 02:55:19 UTC

HMDB ID

HMDB0037438

Secondary Accession Numbers

HMDB37438

Metabolite Identification

Common Name

Kaempferitrin

Description

Kaempferitrin, also known as lespenefril or lespedin, belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Kaempferitrin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Kaempferitrin.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv1652309272007372D          

 41 45  0  0  0  0            999 V2000
10015.202310011.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10010.206010007.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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10007.352810010.9162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10005.922310010.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10007.352810007.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.922310008.4413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10014.489310010.9162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.774910011.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.060410010.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.060410010.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.774810009.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.489310010.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.205810010.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.491310009.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.491310008.8494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.205710008.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 29  1  0  0  0  0
 37 38  1  6  0  0  0
 40 21  2  0  0  0  0
 20 39  1  0  0  0  0
M  END

HMDB0037438
     RDKit          3D
Kaempferitrin
 71 75  0  0  0  0  0  0  0  0999 V2000
    5.5703   -3.2164   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0345    0.1676   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 71  1  0
M  END


  Mrv1652309272007372D          

 41 45  0  0  0  0            999 V2000
10015.202310011.3265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10010.206010007.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  8  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 19 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  1  0  0  0  0
 21 11  1  0  0  0  0
 19 14  2  0  0  0  0
 17 20  2  0  0  0  0
  8  1  1  0  0  0  0
 15  3  1  0  0  0  0
 17  2  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27  3  1  6  0  0  0
 22  4  1  1  0  0  0
 23  5  1  1  0  0  0
 24  7  1  6  0  0  0
 25  6  1  1  0  0  0
 33 29  1  1  0  0  0
 34 28  1  6  0  0  0
 35 30  1  6  0  0  0
 36 31  1  1  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 37 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 40 29  1  0  0  0  0
 37 38  1  6  0  0  0
 40 21  2  0  0  0  0
 20 39  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037438

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1

> <INCHI_KEY>
PUPKKEQDLNREIM-QNSQPKOQSA-N

> <FORMULA>
C27H30O14

> <MOLECULAR_WEIGHT>
578.523

> <EXACT_MASS>
578.163555646

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
55.37917525387238

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})-4H-chromen-4-one

> <ALOGPS_LOGP>
0.45

> <JCHEM_LOGP>
-0.015518134333332045

> <ALOGPS_LOGS>
-2.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.556778906358883

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.083350053109648

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122003587144

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999995

> <JCHEM_REFRACTIVITY>
136.35159999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
kaempferitrin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037438
     RDKit          3D
Kaempferitrin
 71 75  0  0  0  0  0  0  0  0999 V2000
    5.5703   -3.2164   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6271   -2.1425    0.0984 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0820   -1.0163    0.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4143   -0.2924   -0.3005 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3592    0.4513    0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220    0.3604   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152   -0.5232   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757   -0.5841   -1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -1.4868   -2.3295 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    0.2554   -0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    0.1676   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606   -0.6546   -1.9476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320    1.0288   -0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562    0.9430   -0.7521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1585    0.0306   -0.1458 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2912   -0.9663   -1.1647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9679   -2.0751   -0.7446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0902   -3.2892   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8755   -1.8017    0.4438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7931   -2.8434    0.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5919   -0.4925    0.0835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6410   -0.2472    0.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4970    0.5815    0.2195 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5672    0.9310    1.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300    1.8976    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300    2.8547    1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7127    3.4613    2.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3835    4.4174    3.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6387    4.8182    2.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3541    5.7908    3.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1747    4.2366    1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    3.2648    0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1095    1.9277    0.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7513    1.1540    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    1.1949    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    0.5398   -1.0001 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0176    0.8311   -2.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7078   -0.3367   -1.1539 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4349    0.0089   -2.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520   -1.7821   -1.2402 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3427   -2.6140   -1.4277 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305   -3.2367   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8864   -4.1919    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6780   -2.9104    0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4301   -2.5844    0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0670   -1.0271   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677   -1.2044   -1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3796   -2.1130   -2.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7399   -0.5249    0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6717   -2.3663   -1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5634   -3.2934    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -3.2724   -1.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6635   -4.2306   -0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3248   -1.7212    1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6856   -2.5524    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8670   -0.5583   -0.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4951   -0.7217    1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8191    1.4326   -0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7319    0.6115    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7251    3.1449    2.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612    4.8737    3.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9553    5.4444    4.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1594    4.5475    1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9587    2.8955   -0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016    1.9291    1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057    1.4755   -0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832    0.3433   -2.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3123   -0.2450   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2562   -0.6805   -2.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5559   -1.9539   -2.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1889   -2.0923   -1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 13 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 25 33  1  0
 33 34  1  0
 34 35  2  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 35  6  1  0
 34 10  1  0
 23 15  1  0
 32 26  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  1
  4 46  1  6
  7 47  1  0
  9 48  1  0
 15 49  1  1
 17 50  1  6
 18 51  1  0
 18 52  1  0
 18 53  1  0
 19 54  1  1
 20 55  1  0
 21 56  1  6
 22 57  1  0
 23 58  1  6
 24 59  1  0
 27 60  1  0
 28 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 35 65  1  0
 36 66  1  1
 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  6
 41 71  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    8695.0448687.809   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8685.7188680.865   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8683.0558685.504   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8680.3928687.044   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8677.7228685.504   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8680.3928680.884   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0    8677.7228682.424   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    8693.7138687.044   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8692.3808687.813   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8691.0468687.043   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8691.0468685.504   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8692.3808684.734   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8693.7138685.504   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8685.7188685.495   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8684.3848684.726   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8684.3848683.185   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8685.7178682.415   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    8688.3808685.495   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0    8687.0468684.725   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8687.0468683.185   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8689.7148684.725   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8680.3908685.502   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8679.0568684.732   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8679.0568683.192   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8680.3908682.422   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0    8681.7238683.192   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0    8681.7238684.732   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0    8693.7508680.885   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0    8691.0588682.419   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0    8693.7688677.785   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0    8691.0968676.226   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0    8689.7298680.086   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0    8691.0678680.878   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0    8692.4138680.111   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0    8692.4218678.552   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0    8691.0848677.778   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0    8689.7388678.545   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0    8688.4038677.760   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0    8688.3698682.407   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0    8689.7188683.188   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0    8688.3738680.862   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2   17                                                            
CONECT    3   15   27                                                       
CONECT    4   22                                                            
CONECT    5   23                                                            
CONECT    6   25                                                            
CONECT    7   24                                                            
CONECT    8    9   13    1                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   21                                                  
CONECT   12   11   13                                                       
CONECT   13   12    8                                                       
CONECT   14   15   19                                                       
CONECT   15   14   16    3                                                  
CONECT   16   15   17                                                       
CONECT   17   16   20    2                                                  
CONECT   18   19   21                                                       
CONECT   19   20   18   14                                                  
CONECT   20   19   17   39                                                  
CONECT   21   18   11   40                                                  
CONECT   22   23   27    4                                                  
CONECT   23   22   24    5                                                  
CONECT   24   23   25    7                                                  
CONECT   25   24   26    6                                                  
CONECT   26   25   27                                                       
CONECT   27   22   26    3                                                  
CONECT   28   34                                                            
CONECT   29   33   40                                                       
CONECT   30   35                                                            
CONECT   31   36                                                            
CONECT   32   37   33                                                       
CONECT   33   29   32   34                                                  
CONECT   34   28   33   35                                                  
CONECT   35   30   34   36                                                  
CONECT   36   31   35   37                                                  
CONECT   37   32   36   38                                                  
CONECT   38   37                                                            
CONECT   39   40   41   20                                                  
CONECT   40   39   29   21                                                  
CONECT   41   39                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

COMPND    HMDB0037438
HETATM    1  C1  UNL     1       5.570  -3.216  -0.073  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.627  -2.143   0.098  1.00  0.00           C  
HETATM    3  O1  UNL     1       6.082  -1.016   0.707  1.00  0.00           O  
HETATM    4  C3  UNL     1       5.414  -0.292  -0.301  1.00  0.00           C  
HETATM    5  O2  UNL     1       4.359   0.451   0.193  1.00  0.00           O  
HETATM    6  C4  UNL     1       3.022   0.360  -0.147  1.00  0.00           C  
HETATM    7  C5  UNL     1       2.515  -0.523  -1.080  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.176  -0.584  -1.390  1.00  0.00           C  
HETATM    9  O3  UNL     1       0.731  -1.487  -2.329  1.00  0.00           O  
HETATM   10  C7  UNL     1       0.293   0.255  -0.761  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.035   0.168  -1.089  1.00  0.00           C  
HETATM   12  O4  UNL     1      -1.461  -0.655  -1.948  1.00  0.00           O  
HETATM   13  C9  UNL     1      -1.932   1.029  -0.439  1.00  0.00           C  
HETATM   14  O5  UNL     1      -3.256   0.943  -0.752  1.00  0.00           O  
HETATM   15  C10 UNL     1      -4.158   0.031  -0.146  1.00  0.00           C  
HETATM   16  O6  UNL     1      -4.291  -0.966  -1.165  1.00  0.00           O  
HETATM   17  C11 UNL     1      -4.968  -2.075  -0.745  1.00  0.00           C  
HETATM   18  C12 UNL     1      -4.090  -3.289  -0.534  1.00  0.00           C  
HETATM   19  C13 UNL     1      -5.876  -1.802   0.444  1.00  0.00           C  
HETATM   20  O7  UNL     1      -6.793  -2.843   0.529  1.00  0.00           O  
HETATM   21  C14 UNL     1      -6.592  -0.493   0.084  1.00  0.00           C  
HETATM   22  O8  UNL     1      -7.641  -0.247   0.951  1.00  0.00           O  
HETATM   23  C15 UNL     1      -5.497   0.581   0.219  1.00  0.00           C  
HETATM   24  O9  UNL     1      -5.567   0.931   1.592  1.00  0.00           O  
HETATM   25  C16 UNL     1      -1.430   1.898   0.472  1.00  0.00           C  
HETATM   26  C17 UNL     1      -2.230   2.855   1.224  1.00  0.00           C  
HETATM   27  C18 UNL     1      -1.713   3.461   2.362  1.00  0.00           C  
HETATM   28  C19 UNL     1      -2.384   4.417   3.089  1.00  0.00           C  
HETATM   29  C20 UNL     1      -3.639   4.818   2.695  1.00  0.00           C  
HETATM   30  O10 UNL     1      -4.354   5.791   3.412  1.00  0.00           O  
HETATM   31  C21 UNL     1      -4.175   4.237   1.573  1.00  0.00           C  
HETATM   32  C22 UNL     1      -3.473   3.265   0.847  1.00  0.00           C  
HETATM   33  O11 UNL     1      -0.110   1.928   0.748  1.00  0.00           O  
HETATM   34  C23 UNL     1       0.751   1.154   0.177  1.00  0.00           C  
HETATM   35  C24 UNL     1       2.103   1.195   0.470  1.00  0.00           C  
HETATM   36  C25 UNL     1       6.478   0.540  -1.000  1.00  0.00           C  
HETATM   37  O12 UNL     1       6.018   0.831  -2.273  1.00  0.00           O  
HETATM   38  C26 UNL     1       7.708  -0.337  -1.154  1.00  0.00           C  
HETATM   39  O13 UNL     1       8.435   0.009  -2.290  1.00  0.00           O  
HETATM   40  C27 UNL     1       7.252  -1.782  -1.240  1.00  0.00           C  
HETATM   41  O14 UNL     1       8.343  -2.614  -1.428  1.00  0.00           O  
HETATM   42  H1  UNL     1       5.230  -3.237  -1.118  1.00  0.00           H  
HETATM   43  H2  UNL     1       5.886  -4.192   0.322  1.00  0.00           H  
HETATM   44  H3  UNL     1       4.678  -2.910   0.542  1.00  0.00           H  
HETATM   45  H4  UNL     1       7.430  -2.584   0.754  1.00  0.00           H  
HETATM   46  H5  UNL     1       5.067  -1.027  -1.043  1.00  0.00           H  
HETATM   47  H6  UNL     1       3.168  -1.204  -1.603  1.00  0.00           H  
HETATM   48  H7  UNL     1       1.380  -2.113  -2.801  1.00  0.00           H  
HETATM   49  H8  UNL     1      -3.740  -0.525   0.700  1.00  0.00           H  
HETATM   50  H9  UNL     1      -5.672  -2.366  -1.582  1.00  0.00           H  
HETATM   51  H10 UNL     1      -3.563  -3.293   0.435  1.00  0.00           H  
HETATM   52  H11 UNL     1      -3.335  -3.272  -1.365  1.00  0.00           H  
HETATM   53  H12 UNL     1      -4.663  -4.231  -0.665  1.00  0.00           H  
HETATM   54  H13 UNL     1      -5.325  -1.721   1.392  1.00  0.00           H  
HETATM   55  H14 UNL     1      -7.686  -2.552   0.227  1.00  0.00           H  
HETATM   56  H15 UNL     1      -6.867  -0.558  -0.970  1.00  0.00           H  
HETATM   57  H16 UNL     1      -7.495  -0.722   1.811  1.00  0.00           H  
HETATM   58  H17 UNL     1      -5.819   1.433  -0.389  1.00  0.00           H  
HETATM   59  H18 UNL     1      -4.732   0.611   2.037  1.00  0.00           H  
HETATM   60  H19 UNL     1      -0.725   3.145   2.672  1.00  0.00           H  
HETATM   61  H20 UNL     1      -1.961   4.874   3.969  1.00  0.00           H  
HETATM   62  H21 UNL     1      -4.955   5.444   4.160  1.00  0.00           H  
HETATM   63  H22 UNL     1      -5.159   4.548   1.259  1.00  0.00           H  
HETATM   64  H23 UNL     1      -3.959   2.896  -0.031  1.00  0.00           H  
HETATM   65  H24 UNL     1       2.402   1.929   1.223  1.00  0.00           H  
HETATM   66  H25 UNL     1       6.706   1.475  -0.427  1.00  0.00           H  
HETATM   67  H26 UNL     1       5.183   0.343  -2.477  1.00  0.00           H  
HETATM   68  H27 UNL     1       8.312  -0.245  -0.227  1.00  0.00           H  
HETATM   69  H28 UNL     1       8.256  -0.681  -2.986  1.00  0.00           H  
HETATM   70  H29 UNL     1       6.556  -1.954  -2.084  1.00  0.00           H  
HETATM   71  H30 UNL     1       9.189  -2.092  -1.336  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3   40   45
CONECT    3    4
CONECT    4    5   36   46
CONECT    5    6
CONECT    6    7    7   35
CONECT    7    8   47
CONECT    8    9   10   10
CONECT    9   48
CONECT   10   11   34
CONECT   11   12   12   13
CONECT   13   14   25   25
CONECT   14   15
CONECT   15   16   23   49
CONECT   16   17
CONECT   17   18   19   50
CONECT   18   51   52   53
CONECT   19   20   21   54
CONECT   20   55
CONECT   21   22   23   56
CONECT   22   57
CONECT   23   24   58
CONECT   24   59
CONECT   25   26   33
CONECT   26   27   27   32
CONECT   27   28   60
CONECT   28   29   29   61
CONECT   29   30   31
CONECT   30   62
CONECT   31   32   32   63
CONECT   32   64
CONECT   33   34
CONECT   34   35   35
CONECT   35   65
CONECT   36   37   38   66
CONECT   37   67
CONECT   38   39   40   68
CONECT   39   69
CONECT   40   41   70
CONECT   41   71
END

HMDB0037438
     RDKit          3D
Kaempferitrin
 71 75  0  0  0  0  0  0  0  0999 V2000
    5.5703   -3.2164   -0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6271   -2.1425    0.0984 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0820   -1.0163    0.7075 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4143   -0.2924   -0.3005 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3592    0.4513    0.1925 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220    0.3604   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152   -0.5232   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1757   -0.5841   -1.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7307   -1.4868   -2.3295 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2934    0.2554   -0.7609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0345    0.1676   -1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4606   -0.6546   -1.9476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9320    1.0288   -0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2562    0.9430   -0.7521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1585    0.0306   -0.1458 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2912   -0.9663   -1.1647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9679   -2.0751   -0.7446 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0902   -3.2892   -0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8755   -1.8017    0.4438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7931   -2.8434    0.5294 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5919   -0.4925    0.0835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.6410   -0.2472    0.9507 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4970    0.5815    0.2195 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5672    0.9310    1.5921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300    1.8976    0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300    2.8547    1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7127    3.4613    2.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3835    4.4174    3.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6387    4.8182    2.6946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3541    5.7908    3.4121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1747    4.2366    1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    3.2648    0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1095    1.9277    0.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7513    1.1540    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034    1.1949    0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4776    0.5398   -1.0001 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0176    0.8311   -2.2733 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7078   -0.3367   -1.1539 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4349    0.0089   -2.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520   -1.7821   -1.2402 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3427   -2.6140   -1.4277 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2305   -3.2367   -1.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8864   -4.1919    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6780   -2.9104    0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4301   -2.5844    0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0670   -1.0271   -1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677   -1.2044   -1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3796   -2.1130   -2.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7399   -0.5249    0.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6717   -2.3663   -1.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5634   -3.2934    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3355   -3.2724   -1.3646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6635   -4.2306   -0.6652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3248   -1.7212    1.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6856   -2.5524    0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8670   -0.5583   -0.9696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4951   -0.7217    1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8191    1.4326   -0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7319    0.6115    2.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7251    3.1449    2.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9612    4.8737    3.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9553    5.4444    4.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1594    4.5475    1.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9587    2.8955   -0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016    1.9291    1.2226 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7057    1.4755   -0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832    0.3433   -2.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3123   -0.2450   -0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2562   -0.6805   -2.9863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5559   -1.9539   -2.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1889   -2.0923   -1.3362 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 13 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 25 33  1  0
 33 34  1  0
 34 35  2  0
  4 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40  2  1  0
 35  6  1  0
 34 10  1  0
 23 15  1  0
 32 26  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  2 45  1  1
  4 46  1  6
  7 47  1  0
  9 48  1  0
 15 49  1  1
 17 50  1  6
 18 51  1  0
 18 52  1  0
 18 53  1  0
 19 54  1  1
 20 55  1  0
 21 56  1  6
 22 57  1  0
 23 58  1  6
 24 59  1  0
 27 60  1  0
 28 61  1  0
 30 62  1  0
 31 63  1  0
 32 64  1  0
 35 65  1  0
 36 66  1  1
 37 67  1  0
 38 68  1  1
 39 69  1  0
 40 70  1  6
 41 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3,7-Bis((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	ChEBI
Kaempferol 3,7-bisrhamnoside	ChEBI
Kaempferol 3,7-dirhamnoside	ChEBI
Kaempferol 3-O-alpha-L-rhamnopyranosyl-7-O-alpha-L-rhamnopyranoside	ChEBI
Kaempferol-3,7-O-alpha-L-dirhamnoside	ChEBI
Kaempferol-dirhamnoside	ChEBI
Lespedin	ChEBI
Lespenefril	ChEBI
Lespenephril	ChEBI
Lespenephryl	ChEBI
3,7-Bis((6-deoxy-a-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	Generator
3,7-Bis((6-deoxy-α-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one	Generator
Kaempferol 3-O-a-L-rhamnopyranosyl-7-O-a-L-rhamnopyranoside	Generator
Kaempferol 3-O-α-L-rhamnopyranosyl-7-O-α-L-rhamnopyranoside	Generator
Kaempferol-3,7-O-a-L-dirhamnoside	Generator
Kaempferol-3,7-O-α-L-dirhamnoside	Generator
3,7-Bis-(alpha-6-deoxymannopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one	HMDB
Kaempferol 3,7-di-O-a-L-rhamnoside	HMDB
Kaempferol 3,7-di-O-α-L-rhamnoside	HMDB
Kaempferitrin	ChEBI
3,4',5,7-Tetrahydroxyflavone 3,7-dirhamnoside	PhytoBank
3,4’,5,7-Tetrahydroxyflavone 3,7-dirhamnoside	PhytoBank
Grosvenorine II	PhytoBank
Kaempferol 3-O-alpha-L-rhamnopyranoside 7-O-alpha-L-rhamnopyranoside	PhytoBank
Kaempferol 3-O-α-L-rhamnopyranoside 7-O-α-L-rhamnopyranoside	PhytoBank
Kaempferol 3,7-di-alpha-L-rhamnoside	PhytoBank
Kaempferol 3,7-di-α-L-rhamnoside	PhytoBank
Kaempferol 3,7-di-alpha-L-rhamnopyranoside	PhytoBank
Kaempferol 3,7-di-α-L-rhamnopyranoside	PhytoBank
Kaempferol 3,7-di-O-alpha-L-rhamnopyranoside	PhytoBank
Kaempferol 3,7-di-O-α-L-rhamnopyranoside	PhytoBank
Kaempferol 3,7-O-alpha-L-dirhamnoside	PhytoBank
Kaempferol 3,7-O-α-L-dirhamnoside	PhytoBank
Kaempferol 3,7-di-O-rhamnopyranoside	PhytoBank
Kaempferol 3,7-di-O-rhamnoside	PhytoBank
Kaempferol 3-O-rhamnoside 7-O-rhamnoside	PhytoBank
Kaempferol-3,7-O-dirhamnose	PhytoBank

Chemical Formula

C₂₇H₃₀O₁₄

Average Molecular Weight

578.523

Monoisotopic Molecular Weight

578.163555646

IUPAC Name

5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})-4H-chromen-4-one

Traditional Name

kaempferitrin

CAS Registry Number

482-38-2

SMILES

C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3/t9-,10-,17-,18-,20+,21+,22+,23+,26-,27-/m0/s1

InChI Key

PUPKKEQDLNREIM-QNSQPKOQSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Flavonoid-7-o-glycoside
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
4'-hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Pyranone
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Pyran
Benzenoid
Oxane
Monosaccharide
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxide
Organic oxygen compound
Hydrocarbon derivative
Alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

dihydroxyflavone (CHEBI:68883 )
glycosyloxyflavone (CHEBI:68883 )
alpha-L-rhamnoside (CHEBI:68883 )
Flavones and Flavonols (C16981 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037438)
Cytoplasm (HMDB: HMDB0037438)

Linden (FooDB: FOOD00184)

Process

Not Available

Role

Biological role

anti inflammatory (HMDB: HMDB0037438)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	202 - 203 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	7376 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.82 g/L	ALOGPS
logP	0.45	ALOGPS
logP	-0.016	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	7.08	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	136.35 m³·mol⁻¹	ChemAxon
Polarizability	55.38 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	223.049	30932474
DeepCCS	[M-H]-	221.224	30932474
DeepCCS	[M-2H]-	255.137	30932474
DeepCCS	[M+Na]+	228.912	30932474
AllCCS	[M+H]+	229.3	32859911
AllCCS	[M+H-H2O]+	227.9	32859911
AllCCS	[M+NH4]+	230.5	32859911
AllCCS	[M+Na]+	230.9	32859911
AllCCS	[M-H]-	223.3	32859911
AllCCS	[M+Na-2H]-	225.3	32859911
AllCCS	[M+HCOO]-	227.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kaempferitrin	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O	6357.2	Standard polar	33892256
Kaempferitrin	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O	4751.8	Standard non polar	33892256
Kaempferitrin	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(OC3=C2)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O	5293.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kaempferitrin,1TMS,isomer #1	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4871.8	Semi standard non polar	33892256
Kaempferitrin,1TMS,isomer #2	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4849.8	Semi standard non polar	33892256
Kaempferitrin,1TMS,isomer #3	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4832.9	Semi standard non polar	33892256
Kaempferitrin,1TMS,isomer #4	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4849.0	Semi standard non polar	33892256
Kaempferitrin,1TMS,isomer #5	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4880.1	Semi standard non polar	33892256
Kaempferitrin,1TMS,isomer #6	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4847.9	Semi standard non polar	33892256
Kaempferitrin,1TMS,isomer #7	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4828.8	Semi standard non polar	33892256
Kaempferitrin,1TMS,isomer #8	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4848.6	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #1	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4732.8	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #10	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4695.8	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #11	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4713.4	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #12	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4722.1	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #13	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4716.5	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #14	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4720.8	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #15	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4700.3	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #16	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4672.2	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #17	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4692.4	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #18	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4714.3	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #19	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4735.1	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #2	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4713.5	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #20	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4704.5	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #21	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4686.0	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #22	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4712.5	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #23	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4732.7	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #24	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4713.1	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #25	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4738.0	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #26	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4716.4	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #27	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4709.9	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #28	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4709.9	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #3	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4721.5	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #4	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4782.2	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #5	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4716.8	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #6	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4701.9	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #7	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4729.5	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #8	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4741.2	Semi standard non polar	33892256
Kaempferitrin,2TMS,isomer #9	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4720.8	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #1	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4641.7	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #10	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4571.3	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #11	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4593.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #12	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4624.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #13	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4590.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #14	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4560.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #15	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4601.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #16	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4622.0	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #17	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4601.1	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #18	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4637.1	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #19	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4600.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #2	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4620.3	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #20	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4596.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #21	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4591.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #22	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4641.8	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #23	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4609.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #24	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4632.3	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #25	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4636.2	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #26	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4631.9	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #27	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4637.7	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #28	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4639.5	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #29	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4639.3	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #3	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4580.2	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #30	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4634.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #31	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4606.7	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #32	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4610.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #33	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4632.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #34	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4632.5	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #35	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4632.1	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #36	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4645.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #37	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4612.2	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #38	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4580.7	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #39	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4602.1	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #4	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4605.7	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #40	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4626.9	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #41	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4608.2	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #42	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4614.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #43	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4630.2	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #44	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4598.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #45	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4608.0	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #46	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4622.2	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #47	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4620.3	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #48	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4596.4	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #49	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4628.8	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #5	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4604.6	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #50	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4622.1	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #51	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4628.9	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #52	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4624.7	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #53	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4632.7	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #54	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4626.9	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #55	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4625.9	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #56	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4647.1	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #6	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4601.5	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #7	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4614.0	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #8	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4586.5	Semi standard non polar	33892256
Kaempferitrin,3TMS,isomer #9	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4550.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #1	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4561.6	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #10	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4491.6	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #11	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4488.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #12	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4526.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #13	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4521.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #14	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4525.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #15	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4549.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #16	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4536.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #17	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4520.7	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #18	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4524.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #19	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4541.3	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #2	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4533.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #20	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4491.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #21	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4498.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #22	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4518.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #23	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4482.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #24	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4492.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #25	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4515.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #26	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4537.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #27	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4517.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #28	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4547.7	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #29	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4515.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #3	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4551.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #30	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4519.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #31	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4514.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #32	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	4552.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #33	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4543.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #34	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4549.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #35	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4550.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #36	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4571.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #37	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4574.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #38	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4576.6	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #39	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4568.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #4	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	4552.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #40	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4536.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #41	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4540.3	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #42	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4570.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #43	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4567.3	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #44	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4564.3	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #45	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4590.8	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #46	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4571.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #47	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4580.1	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #48	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4601.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #49	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4584.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #5	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4554.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #50	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4572.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #51	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4604.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #52	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4575.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #53	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4562.7	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #54	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4576.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #55	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4596.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #56	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4537.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #57	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4545.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #58	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4566.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #59	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4533.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #6	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4528.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #60	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4541.6	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #61	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4557.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #62	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4565.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #63	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4572.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #64	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4574.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #65	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4567.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #66	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4559.5	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #67	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4566.7	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #68	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4559.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #69	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4598.4	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #7	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4525.0	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #70	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C)C=C4)OC3=C2)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4590.2	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #8	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4532.9	Semi standard non polar	33892256
Kaempferitrin,4TMS,isomer #9	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4525.5	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #1	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	5098.7	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #2	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5077.9	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #3	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5051.2	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #4	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	5062.0	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #5	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	5103.7	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #6	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	5064.9	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #7	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5046.6	Semi standard non polar	33892256
Kaempferitrin,1TBDMS,isomer #8	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5076.6	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #1	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5156.7	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #10	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5101.8	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #11	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5120.2	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #12	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	5113.6	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #13	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	5118.4	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #14	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5152.3	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #15	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5110.7	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #16	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5076.1	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #17	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5095.2	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #18	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5110.0	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #19	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	5156.4	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #2	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5138.6	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #20	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	5099.8	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #21	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5083.6	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #22	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5117.6	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #23	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	5155.4	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #24	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5141.8	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #25	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5173.8	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #26	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	5110.9	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #27	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5106.1	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #28	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	5105.8	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #3	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	5134.1	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #4	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O	5211.5	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #5	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O	5132.6	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #6	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	5123.4	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #7	C[C@@H]1O[C@@H](OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5153.9	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #8	C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)=CC(O)=C3C2=O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5175.8	Semi standard non polar	33892256
Kaempferitrin,2TBDMS,isomer #9	C[C@@H]1O[C@@H](OC2=CC(O)=C3C(=O)C(O[C@@H]4O[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]4O)=C(C4=CC=C(O)C=C4)OC3=C2)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	5135.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (Non-derivatized) - 70eV, Positive	splash10-03ds-5200390000-33920e0657ab2d6f20ca	2017-11-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS ("Kaempferitrin,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferitrin GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 30V, Negative-QTOF	splash10-0019-0090200000-5569abe097cec993e4be	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Negative-QTOF	splash10-005i-0090460000-656050f0c650bf96aa5a	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 20V, Negative-QTOF	splash10-001i-0060940000-8e433c78c26688010aab	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 10V, Negative-QTOF	splash10-004i-0010390000-655318c0bb22457b5a8f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 20V, Positive-QTOF	splash10-000i-2090200000-636205e72a19fef92218	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 40V, Positive-QTOF	splash10-000i-3090000000-97778b22837b3ef6b08f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 10V, Positive-QTOF	splash10-001i-0020900000-1a5c5b1e466d072e53df	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-0019-0090510000-337fc2bdd8c65bd68dac	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-0540-0190000000-003b2a85af1464e0d741	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-0019-0090200000-99744e2af949353764fd	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-0019-0090200000-646c7775b6712afd0f4f	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-0040-0090560000-2fa5c5de5e8ec5108c55	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-000i-0190000000-95dee346adeec79ecd65	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-001i-0000930000-d726930c857e07d76f4b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-001i-0000930000-1fce2d7663eee1bb11ef	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-000i-0090000000-74a1488517215ea515b8	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-000i-0090000000-0b87ba85c505362ab4ff	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-004i-0000190000-534c8bf8e8e294433055	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Kaempferitrin 6V, Positive-QTOF	splash10-004i-0000190000-efd3ca7c40bb6747570d	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferitrin 10V, Positive-QTOF	splash10-00lr-0020940000-29c43201c6bc0729459e	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferitrin 20V, Positive-QTOF	splash10-000i-0190500000-9ba2584d06585a3457ac	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferitrin 40V, Positive-QTOF	splash10-000i-0290200000-7a4c1c250b11e09d6853	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferitrin 10V, Negative-QTOF	splash10-0059-1002970000-b526ab5696a0290455b2	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferitrin 20V, Negative-QTOF	splash10-01q9-1121920000-5ac7163dc1f59c11eef9	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferitrin 40V, Negative-QTOF	splash10-0040-2193200000-4c4adbd90bf3112701d5	2019-02-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

C00005189

Chemspider ID

4588900

KEGG Compound ID

C16981

BioCyc ID

kaempferol-3-rhamnoside-7-rhamnoside

BiGG ID

Not Available

Wikipedia Link

Kaempferitrin

METLIN ID

Not Available

PubChem Compound

5486199

PDB ID

Not Available

ChEBI ID

68883

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1860991

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Kaempferitrin (HMDB0037438)

MOL for HMDB0037438 (Kaempferitrin)

3D MOL for HMDB0037438 (Kaempferitrin)

3D SDF for HMDB0037438 (Kaempferitrin)

3D-SDF for HMDB0037438 (Kaempferitrin)

PDB for HMDB0037438 (Kaempferitrin)

3D PDB for HMDB0037438 (Kaempferitrin)

SMILES for HMDB0037438 (Kaempferitrin)

INCHI for HMDB0037438 (Kaempferitrin)

Structure for HMDB0037438 (Kaempferitrin)

3D Structure for HMDB0037438 (Kaempferitrin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra