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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:06:10 UTC

Update Date

2022-03-07 02:56:38 UTC

HMDB ID

HMDB0040542

Secondary Accession Numbers

HMDB40542

Metabolite Identification

Common Name

Kaempferol 3-O-alpha-L-rhamnofuranoside

Description

Kaempferol 3-O-alpha-L-rhamnofuranoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Kaempferol 3-O-alpha-L-rhamnofuranoside has been detected, but not quantified in, several different foods, such as alcoholic beverages, beverages, herbs and spices, and sweet bays (Laurus nobilis). This could make kaempferol 3-O-alpha-L-rhamnofuranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kaempferol 3-O-alpha-L-rhamnofuranoside.

Structure

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


  Mrv0541 05061311562D          

 31 34  0  0  0  0            999 V2000
    2.2960   -5.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400   -4.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553   -4.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3099   -2.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -2.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 15  2  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 13  1  0  0  0  0
 29 19  1  0  0  0  0
 30 18  1  0  0  0  0
 30 21  1  0  0  0  0
 31 20  1  0  0  0  0
 31 21  1  0  0  0  0
M  END

HMDB0040542
     RDKit          3D
Kaempferol 3-O-alpha-L-rhamnofuranoside
 51 54  0  0  0  0  0  0  0  0999 V2000
   -5.5432    0.5692    1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1411    0.0873    1.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0714   -1.2443    1.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    0.9579    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713    0.6249    0.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    0.2517   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    0.9206   -0.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881    0.2030   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824   -0.0171    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801    0.4578    1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236   -0.1069    2.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    0.3051    3.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077    1.3041    4.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9161    1.7332    5.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645    1.8736    3.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    1.4504    2.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623   -0.7335   -0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939   -1.2141   -1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656   -1.9495   -1.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359   -2.4713   -2.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110   -3.2170   -2.9861 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525   -2.2652   -3.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623   -1.5384   -3.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234   -1.3676   -4.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193   -1.0253   -2.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973   -0.2952   -2.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350   -0.0640   -2.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    0.5205   -1.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703   -0.6220   -2.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300    0.9415   -0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910    2.2198   -1.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5386    1.3358    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0620    1.0170    2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1899   -0.2537    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184    0.2581    2.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9026   -1.5786    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559    2.0069    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745   -0.8450   -0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -0.9003    2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -0.1401    4.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972    2.4714    5.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848    2.6667    3.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3783    1.9715    1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534   -2.1021   -0.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7473   -2.7097   -3.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656   -2.6809   -4.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.9258   -4.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882    1.3613   -1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -0.2943   -3.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    0.2180   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969    2.8347   -0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  4  1  0
 26  8  1  0
 16 10  1  0
 25 18  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 24 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
M  END


  Mrv0541 05061311562D          

 31 34  0  0  0  0            999 V2000
    2.2960   -5.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605   -4.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5253   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1400   -4.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553   -4.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3099   -2.7050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1904   -2.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  8  1  1  0  0  0  0
  9  2  2  0  0  0  0
  9  3  1  0  0  0  0
 10  4  2  0  0  0  0
 10  5  1  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18  8  1  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20 15  1  0  0  0  0
 20 19  2  0  0  0  0
 21 17  1  0  0  0  0
 22  8  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 15  2  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29 13  1  0  0  0  0
 29 19  1  0  0  0  0
 30 18  1  0  0  0  0
 30 21  1  0  0  0  0
 31 20  1  0  0  0  0
 31 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040542

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O10/c1-8(22)18-16(27)17(28)21(30-18)31-20-15(26)14-12(25)6-11(24)7-13(14)29-19(20)9-2-4-10(23)5-3-9/h2-8,16-18,21-25,27-28H,1H3

> <INCHI_KEY>
FFFIPDPCGREKEW-UHFFFAOYSA-N

> <FORMULA>
C21H20O10

> <MOLECULAR_WEIGHT>
432.3775

> <EXACT_MASS>
432.10564686

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
41.83362332737916

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
1.42

> <JCHEM_LOGP>
1.2056399923333339

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.440214470273533

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433890231942087

> <JCHEM_PKA_STRONGEST_BASIC>
-3.055701239772265

> <JCHEM_POLAR_SURFACE_AREA>
166.14

> <JCHEM_REFRACTIVITY>
105.75089999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.29e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040542
     RDKit          3D
Kaempferol 3-O-alpha-L-rhamnofuranoside
 51 54  0  0  0  0  0  0  0  0999 V2000
   -5.5432    0.5692    1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1411    0.0873    1.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0714   -1.2443    1.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    0.9579    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713    0.6249    0.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    0.2517   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    0.9206   -0.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881    0.2030   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824   -0.0171    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801    0.4578    1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236   -0.1069    2.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    0.3051    3.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077    1.3041    4.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9161    1.7332    5.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645    1.8736    3.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    1.4504    2.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623   -0.7335   -0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939   -1.2141   -1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656   -1.9495   -1.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359   -2.4713   -2.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110   -3.2170   -2.9861 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525   -2.2652   -3.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623   -1.5384   -3.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234   -1.3676   -4.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193   -1.0253   -2.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973   -0.2952   -2.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350   -0.0640   -2.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    0.5205   -1.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703   -0.6220   -2.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300    0.9415   -0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910    2.2198   -1.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5386    1.3358    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0620    1.0170    2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1899   -0.2537    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184    0.2581    2.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9026   -1.5786    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559    2.0069    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745   -0.8450   -0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -0.9003    2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -0.1401    4.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972    2.4714    5.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848    2.6667    3.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3783    1.9715    1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534   -2.1021   -0.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7473   -2.7097   -3.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656   -2.6809   -4.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.9258   -4.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882    1.3613   -1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -0.2943   -3.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    0.2180   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969    2.8347   -0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  4  1  0
 26  8  1  0
 16 10  1  0
 25 18  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 24 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       4.286  -9.643   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.660  -8.236   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.105  -6.990   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.581  -5.525   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.565  -6.990   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       2.128  -8.075   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       7.010  -8.236   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.045  -5.049   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       4.089  -5.525   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2    4    9                                                       
CONECT    3    5    9                                                       
CONECT    4    2   10                                                       
CONECT    5    3   10                                                       
CONECT    6   11   12                                                       
CONECT    7   11   13                                                       
CONECT    8    1   18   22                                                  
CONECT    9    2    3   19                                                  
CONECT   10    4    5   23                                                  
CONECT   11    6    7   24                                                  
CONECT   12    6   14   25                                                  
CONECT   13    7   14   29                                                  
CONECT   14   12   13   15                                                  
CONECT   15   14   20   26                                                  
CONECT   16   17   18   27                                                  
CONECT   17   16   21   28                                                  
CONECT   18    8   16   30                                                  
CONECT   19    9   20   29                                                  
CONECT   20   15   19   31                                                  
CONECT   21   17   30   31                                                  
CONECT   22    8                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   13   19                                                       
CONECT   30   18   21                                                       
CONECT   31   20   21                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

COMPND    HMDB0040542
HETATM    1  C1  UNL     1      -5.543   0.569   1.217  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.141   0.087   1.573  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.071  -1.244   1.209  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.179   0.958   0.797  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.871   0.625   0.941  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.301   0.252  -0.222  1.00  0.00           C  
HETATM    7  O3  UNL     1      -0.082   0.921  -0.561  1.00  0.00           O  
HETATM    8  C5  UNL     1       1.088   0.203  -0.780  1.00  0.00           C  
HETATM    9  C6  UNL     1       1.982  -0.017   0.203  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.880   0.458   1.597  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.724  -0.107   2.528  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.741   0.305   3.845  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.908   1.304   4.274  1.00  0.00           C  
HETATM   14  O4  UNL     1       1.916   1.733   5.618  1.00  0.00           O  
HETATM   15  C11 UNL     1       1.064   1.874   3.355  1.00  0.00           C  
HETATM   16  C12 UNL     1       1.054   1.450   2.023  1.00  0.00           C  
HETATM   17  O5  UNL     1       3.062  -0.734  -0.120  1.00  0.00           O  
HETATM   18  C13 UNL     1       3.294  -1.214  -1.297  1.00  0.00           C  
HETATM   19  C14 UNL     1       4.466  -1.950  -1.506  1.00  0.00           C  
HETATM   20  C15 UNL     1       4.736  -2.471  -2.749  1.00  0.00           C  
HETATM   21  O6  UNL     1       5.911  -3.217  -2.986  1.00  0.00           O  
HETATM   22  C16 UNL     1       3.853  -2.265  -3.773  1.00  0.00           C  
HETATM   23  C17 UNL     1       2.662  -1.538  -3.629  1.00  0.00           C  
HETATM   24  O7  UNL     1       1.823  -1.368  -4.686  1.00  0.00           O  
HETATM   25  C18 UNL     1       2.419  -1.025  -2.362  1.00  0.00           C  
HETATM   26  C19 UNL     1       1.297  -0.295  -2.068  1.00  0.00           C  
HETATM   27  O8  UNL     1       0.435  -0.064  -2.967  1.00  0.00           O  
HETATM   28  C20 UNL     1      -2.275   0.521  -1.332  1.00  0.00           C  
HETATM   29  O9  UNL     1      -2.470  -0.622  -2.125  1.00  0.00           O  
HETATM   30  C21 UNL     1      -3.530   0.941  -0.644  1.00  0.00           C  
HETATM   31  O10 UNL     1      -3.891   2.220  -1.122  1.00  0.00           O  
HETATM   32  H1  UNL     1      -5.539   1.336   0.427  1.00  0.00           H  
HETATM   33  H2  UNL     1      -6.062   1.017   2.088  1.00  0.00           H  
HETATM   34  H3  UNL     1      -6.190  -0.254   0.861  1.00  0.00           H  
HETATM   35  H4  UNL     1      -4.018   0.258   2.662  1.00  0.00           H  
HETATM   36  H5  UNL     1      -4.903  -1.579   0.772  1.00  0.00           H  
HETATM   37  H6  UNL     1      -3.356   2.007   1.172  1.00  0.00           H  
HETATM   38  H7  UNL     1      -1.074  -0.845  -0.151  1.00  0.00           H  
HETATM   39  H8  UNL     1       3.407  -0.900   2.255  1.00  0.00           H  
HETATM   40  H9  UNL     1       3.404  -0.140   4.573  1.00  0.00           H  
HETATM   41  H10 UNL     1       1.297   2.471   5.926  1.00  0.00           H  
HETATM   42  H11 UNL     1       0.385   2.667   3.639  1.00  0.00           H  
HETATM   43  H12 UNL     1       0.378   1.971   1.335  1.00  0.00           H  
HETATM   44  H13 UNL     1       5.153  -2.102  -0.682  1.00  0.00           H  
HETATM   45  H14 UNL     1       6.747  -2.710  -3.291  1.00  0.00           H  
HETATM   46  H15 UNL     1       4.066  -2.681  -4.767  1.00  0.00           H  
HETATM   47  H16 UNL     1       0.980  -0.926  -4.831  1.00  0.00           H  
HETATM   48  H17 UNL     1      -1.888   1.361  -1.975  1.00  0.00           H  
HETATM   49  H18 UNL     1      -2.597  -0.294  -3.050  1.00  0.00           H  
HETATM   50  H19 UNL     1      -4.356   0.218  -0.864  1.00  0.00           H  
HETATM   51  H20 UNL     1      -3.797   2.835  -0.349  1.00  0.00           H  
CONECT    1    2   32   33   34
CONECT    2    3    4   35
CONECT    3   36
CONECT    4    5   30   37
CONECT    5    6
CONECT    6    7   28   38
CONECT    7    8
CONECT    8    9    9   26
CONECT    9   10   17
CONECT   10   11   11   16
CONECT   11   12   39
CONECT   12   13   13   40
CONECT   13   14   15
CONECT   14   41
CONECT   15   16   16   42
CONECT   16   43
CONECT   17   18
CONECT   18   19   19   25
CONECT   19   20   44
CONECT   20   21   22   22
CONECT   21   45
CONECT   22   23   46
CONECT   23   24   25   25
CONECT   24   47
CONECT   25   26
CONECT   26   27   27
CONECT   28   29   30   48
CONECT   29   49
CONECT   30   31   50
CONECT   31   51
END

HMDB0040542
     RDKit          3D
Kaempferol 3-O-alpha-L-rhamnofuranoside
 51 54  0  0  0  0  0  0  0  0999 V2000
   -5.5432    0.5692    1.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1411    0.0873    1.5726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0714   -1.2443    1.2088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789    0.9579    0.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8713    0.6249    0.9413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3005    0.2517   -0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820    0.9206   -0.5608 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0881    0.2030   -0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824   -0.0171    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801    0.4578    1.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236   -0.1069    2.5284 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7412    0.3051    3.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077    1.3041    4.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9161    1.7332    5.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0645    1.8736    3.3553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0537    1.4504    2.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0623   -0.7335   -0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939   -1.2141   -1.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4656   -1.9495   -1.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7359   -2.4713   -2.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110   -3.2170   -2.9861 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8525   -2.2652   -3.7727 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6623   -1.5384   -3.6288 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8234   -1.3676   -4.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193   -1.0253   -2.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2973   -0.2952   -2.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350   -0.0640   -2.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2752    0.5205   -1.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703   -0.6220   -2.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5300    0.9415   -0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910    2.2198   -1.1216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5386    1.3358    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0620    1.0170    2.0882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1899   -0.2537    0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0184    0.2581    2.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9026   -1.5786    0.7716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3559    2.0069    1.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0745   -0.8450   -0.1507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4070   -0.9003    2.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4042   -0.1401    4.5733 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2972    2.4714    5.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3848    2.6667    3.6394 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3783    1.9715    1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534   -2.1021   -0.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7473   -2.7097   -3.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0656   -2.6809   -4.7673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.9258   -4.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8882    1.3613   -1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5967   -0.2943   -3.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3556    0.2180   -0.8644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7969    2.8347   -0.3488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
  6 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30  4  1  0
 26  8  1  0
 16 10  1  0
 25 18  1  0
  1 32  1  0
  1 33  1  0
  1 34  1  0
  2 35  1  0
  3 36  1  0
  4 37  1  0
  6 38  1  0
 11 39  1  0
 12 40  1  0
 14 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 24 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Kaempferol 3-O-a-L-rhamnofuranoside	Generator
Kaempferol 3-O-α-L-rhamnofuranoside	Generator

Chemical Formula

C₂₁H₂₀O₁₀

Average Molecular Weight

432.3775

Monoisotopic Molecular Weight

432.10564686

IUPAC Name

3-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one

Traditional Name

3-{[3,4-dihydroxy-5-(1-hydroxyethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

CAS Registry Number

5041-73-6

SMILES

CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O

InChI Identifier

InChI=1S/C21H20O10/c1-8(22)18-16(27)17(28)21(30-18)31-20-15(26)14-12(25)6-11(24)7-13(14)29-19(20)9-2-4-10(23)5-3-9/h2-8,16-18,21-25,27-28H,1H3

InChI Key

FFFIPDPCGREKEW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040542)
Cytoplasm (HMDB: HMDB0040542)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040542)

Source

Exogenous

Food

Food (HMDB: HMDB0040542)

Herb and spice

Herb

Sweet bay (FooDB: FOOD00097)

Herbs and Spices (FooDB: FOOD00866)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Beverages (FooDB: FOOD00870)

Endogenous

Plant

Plant (HMDB: HMDB0040542)

Not Available

Nutrient (HMDB: HMDB0040542)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	172 - 175 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.29 g/L	ALOGPS
logP	1.42	ALOGPS
logP	1.21	ChemAxon
logS	-2.5	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	166.14 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	105.75 m³·mol⁻¹	ChemAxon
Polarizability	41.83 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	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]+	197.151	30932474
DeepCCS	[M-H]-	194.755	30932474
DeepCCS	[M-2H]-	228.119	30932474
DeepCCS	[M+Na]+	203.227	30932474
AllCCS	[M+H]+	200.2	32859911
AllCCS	[M+H-H2O]+	197.7	32859911
AllCCS	[M+NH4]+	202.6	32859911
AllCCS	[M+Na]+	203.3	32859911
AllCCS	[M-H]-	198.6	32859911
AllCCS	[M+Na-2H]-	198.8	32859911
AllCCS	[M+HCOO]-	199.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-O-alpha-L-rhamnofuranoside	CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	6296.3	Standard polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside	CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	3857.5	Standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside	CC(O)C1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	4101.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TMS,isomer #1	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	4082.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TMS,isomer #2	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O	4060.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TMS,isomer #3	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	4036.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TMS,isomer #4	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	4027.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TMS,isomer #5	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	4055.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TMS,isomer #6	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	4057.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #1	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	3985.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #10	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	3930.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #11	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3969.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #12	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3966.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #13	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	3949.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #14	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	3950.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #15	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3994.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #2	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O	4015.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #3	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	4010.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #4	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	4039.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #5	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	4035.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #6	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O	3940.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #7	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	3956.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #8	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	3981.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TMS,isomer #9	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	3979.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #1	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O	3896.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #10	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3961.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #11	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	3896.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #12	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	3869.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #13	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	3854.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #14	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3886.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #15	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3874.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #16	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3899.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #17	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3857.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #18	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3840.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #19	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3885.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #2	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	3892.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #20	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3880.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #3	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	3920.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #4	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	3912.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #5	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	3930.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #6	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	3952.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #7	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	3944.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #8	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3942.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TMS,isomer #9	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3935.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #1	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	3877.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #10	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3881.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #11	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3849.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #12	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3837.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #13	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3812.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #14	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3809.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #15	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3795.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #2	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	3842.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #3	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	3829.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #4	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3829.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #5	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3817.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #6	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3879.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #7	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3857.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #8	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3840.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TMS,isomer #9	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3899.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,5TMS,isomer #1	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O	3851.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,5TMS,isomer #2	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C	3838.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,5TMS,isomer #3	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3813.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,5TMS,isomer #4	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3797.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,5TMS,isomer #5	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3791.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,5TMS,isomer #6	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3799.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,6TMS,isomer #1	CC(O[Si](C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3788.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	4353.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TBDMS,isomer #2	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O	4312.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TBDMS,isomer #3	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4294.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TBDMS,isomer #4	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	4279.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TBDMS,isomer #5	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4332.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,1TBDMS,isomer #6	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4332.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	4452.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #10	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4406.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #11	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4427.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #12	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4407.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #13	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4421.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #14	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4401.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #15	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4451.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O	4476.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4456.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4506.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4499.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #6	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O	4431.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #7	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4431.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #8	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4451.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,2TBDMS,isomer #9	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4432.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O	4567.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #10	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4585.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #11	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4607.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #12	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4557.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #13	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4536.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #14	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4555.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #15	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4539.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #16	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4529.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #17	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4536.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #18	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4513.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #19	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4514.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4541.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #20	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4525.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4562.1	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4539.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4562.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4567.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4545.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4554.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,3TBDMS,isomer #9	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4535.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #1	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O	4707.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #10	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4612.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #11	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4718.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #12	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4710.0	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #13	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4635.9	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #14	CC(O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4616.6	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #15	CC(O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4614.5	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #2	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4674.8	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #3	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4661.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #4	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4658.4	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #5	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4643.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #6	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4637.3	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #7	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	4660.7	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #8	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	4643.2	Semi standard non polar	33892256
Kaempferol 3-O-alpha-L-rhamnofuranoside,4TBDMS,isomer #9	CC(O[Si](C)(C)C(C)(C)C)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4631.5	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 - Kaempferol 3-O-alpha-L-rhamnofuranoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ab9-9001100000-9bf49dcb1c17a1e56971	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside GC-MS (3 TMS) - 70eV, Positive	splash10-001i-5900116000-d799399f4856bc2e9120	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 10V, Positive-QTOF	splash10-00li-1190800000-6cccd34ed8e4d7effbde	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 20V, Positive-QTOF	splash10-000i-0190000000-07c4970066dfc9e711be	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 40V, Positive-QTOF	splash10-05n3-6590000000-947423e0a688e31473d1	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 10V, Negative-QTOF	splash10-001r-0051900000-4672a1e65e456b6bd9eb	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 20V, Negative-QTOF	splash10-000i-0190200000-9c8293d48334ed4a2ee1	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 40V, Negative-QTOF	splash10-000i-1590000000-750f0eb8ed62e2fa6e85	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 10V, Negative-QTOF	splash10-001i-0000900000-14577e71d57aee3c040a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 20V, Negative-QTOF	splash10-0f89-0300900000-595fe4f85be7fec14af8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 40V, Negative-QTOF	splash10-0uec-2910200000-e575142d2a72f3f47522	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 10V, Positive-QTOF	splash10-001i-0000900000-509ee28ef47ce2bd195a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 20V, Positive-QTOF	splash10-001i-0000900000-79f1f1320d1261241201	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-O-alpha-L-rhamnofuranoside 40V, Positive-QTOF	splash10-0udi-1901400000-21936e8358041c3da954	2021-09-24	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

FDB020311

KNApSAcK ID

Not Available

Chemspider ID

35014959

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14078178

PDB ID

Not Available

ChEBI ID

176092

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

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 Kaempferol 3-O-alpha-L-rhamnofuranoside (HMDB0040542)

MOL for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

3D MOL for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

3D SDF for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

3D-SDF for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

PDB for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

3D PDB for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

SMILES for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

INCHI for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

Structure for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

3D Structure for HMDB0040542 (Kaempferol 3-O-alpha-L-rhamnofuranoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra