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Showing metabocard for Kaempferol 3-glucuronide (HMDB0029500)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (6) Show 6 proteinsXML
enzymes (6) Show 6 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:30:46 UTC
Update Date2022-03-07 02:52:11 UTC
HMDB IDHMDB0029500
Secondary Accession Numbers
  • HMDB29500
Metabolite Identification
Common NameKaempferol 3-glucuronide
DescriptionKaempferol 3-glucuronide belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position. Kaempferol 3-glucuronide is found, on average, in the highest concentration within a few different foods, such as endives (Cichorium endivia), tropical highland blackberries (Rubus adenotrichos), and blackberries (Rubus) and in a lower concentration in common beans (Phaseolus vulgaris), red raspberries (Rubus idaeus), and green beans (Phaseolus vulgaris). Kaempferol 3-glucuronide has also been detected, but not quantified in, several different foods, such as lettuces (Lactuca sativa), mung beans (Vigna radiata), chicories (Cichorium intybus), dills (Anethum graveolens), and pulses. This could make kaempferol 3-glucuronide a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kaempferol 3-glucuronide.
Structure
Data?1582753427
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029500 (Kaempferol 3-glucuronide)


  Mrv0541 02241217102D          

 33 36  0  0  0  0            999 V2000
   -3.2148   -1.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -2.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -2.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148   -3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    2.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    1.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    2.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    2.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711    1.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  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
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
Download

3D MOL for HMDB0029500 (Kaempferol 3-glucuronide)

HMDB0253753
     RDKit          3D
Kaempferol-3-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
    4.5175   -2.4342    1.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238   -2.4690    1.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976   -3.6441    1.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9687   -1.2447    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480   -1.4615   -0.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805   -0.2906   -0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0287   -0.2166   -1.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9295    0.5224   -0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503   -0.0225    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -1.4148    0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031   -1.7231    1.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4843   -3.0184    2.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9374   -4.0727    1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -5.3654    2.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831   -3.7765    0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979   -2.4619    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6555    0.7806    0.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7879    2.0473    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7230    2.8433    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8530    4.1732    0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8092    4.9874    1.5159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559    4.7476   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861    3.9884   -0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240    4.6108   -1.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727    2.6681   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387    1.8699   -1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635    2.2921   -1.8751 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361   -0.2775   -2.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    0.5659   -3.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    0.0882   -1.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740    1.4558   -1.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576   -0.7371   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098    0.0529    0.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614   -4.0105    1.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7676   -0.4888    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7192    0.5190   -0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8497   -0.9375    2.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152   -3.2070    3.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8585   -5.9122    1.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -4.5917   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -2.2989   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3717    2.4078    1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5020    5.4590    2.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200    5.7928   -0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    4.3241   -2.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481   -1.3423   -2.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    0.1850   -4.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3434   -0.1086   -2.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.8499   -1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6779   -1.6166   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156    0.9132    0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 16 10  1  0
 25 18  1  0
  3 34  1  0
  4 35  1  0
  6 36  1  0
 11 37  1  0
 12 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 24 45  1  0
 28 46  1  0
 29 47  1  0
 30 48  1  0
 31 49  1  0
 32 50  1  0
 33 51  1  0
M  END
Download

3D SDF for HMDB0029500 (Kaempferol 3-glucuronide)


  Mrv0541 02241217102D          

 33 36  0  0  0  0            999 V2000
   -3.2148   -1.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4998   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -0.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011   -2.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -3.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -2.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723   -1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -1.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2148   -3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    2.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    1.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3573    1.0305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    0.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5011    2.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0723    3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    2.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711    1.8555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  6  7  2  0  0  0  0
  6 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  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
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029500

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)

> <INCHI_KEY>
FNTJVYCFNVUBOL-UHFFFAOYSA-N

> <FORMULA>
C21H18O12

> <MOLECULAR_WEIGHT>
462.3604

> <EXACT_MASS>
462.07982604

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
42.38708742278287

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
1.40

> <JCHEM_LOGP>
0.47900456366666666

> <ALOGPS_LOGS>
-2.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.433973515846841

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7116471559069595

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6868297480420305

> <JCHEM_POLAR_SURFACE_AREA>
203.44

> <JCHEM_REFRACTIVITY>
107.16199999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.96e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029500 (Kaempferol 3-glucuronide)

HMDB0253753
     RDKit          3D
Kaempferol-3-glucuronide
 51 54  0  0  0  0  0  0  0  0999 V2000
    4.5175   -2.4342    1.6104 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238   -2.4690    1.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976   -3.6441    1.0083 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9687   -1.2447    0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480   -1.4615   -0.3158 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3805   -0.2906   -0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0287   -0.2166   -1.2999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9295    0.5224   -0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7503   -0.0225    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -1.4148    0.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4031   -1.7231    1.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4843   -3.0184    2.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9374   -4.0727    1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0537   -5.3654    2.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831   -3.7765    0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1979   -2.4619    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6555    0.7806    0.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7879    2.0473    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7230    2.8433    1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8530    4.1732    0.8823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8092    4.9874    1.5159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559    4.7476   -0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0861    3.9884   -0.7180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3240    4.6108   -1.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9727    2.6681   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0387    1.8699   -1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2635    2.2921   -1.8751 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361   -0.2775   -2.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    0.5659   -3.2109 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    0.0882   -1.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740    1.4558   -1.4752 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0576   -0.7371   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098    0.0529    0.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614   -4.0105    1.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7676   -0.4888    1.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7192    0.5190   -0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8497   -0.9375    2.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0152   -3.2070    3.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8585   -5.9122    1.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8483   -4.5917   -0.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998   -2.2989   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3717    2.4078    1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5020    5.4590    2.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1200    5.7928   -0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    4.3241   -2.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3481   -1.3423   -2.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    0.1850   -4.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3434   -0.1086   -2.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5668    1.8499   -1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6779   -1.6166   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4156    0.9132    0.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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 32  1  0
 32 33  1  0
 32  4  1  0
 26  8  1  0
 16 10  1  0
 25 18  1  0
  3 34  1  0
  4 35  1  0
  6 36  1  0
 11 37  1  0
 12 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 19 42  1  0
 21 43  1  0
 22 44  1  0
 24 45  1  0
 28 46  1  0
 29 47  1  0
 30 48  1  0
 31 49  1  0
 32 50  1  0
 33 51  1  0
M  END
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PDB for HMDB0029500 (Kaempferol 3-glucuronide)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0      -6.001  -3.464   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -4.666  -2.694   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.334  -3.464   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.999  -2.694   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.999  -1.154   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.667  -0.384   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.667   1.156   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.666  -1.154   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.334  -0.384   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.334   1.156   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.667  -3.464   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.667  -2.694   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.667  -1.154   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.002  -0.384   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.669  -3.464   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.669  -5.004   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.334  -5.774   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.002  -5.004   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.002  -3.464   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.334  -2.694   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.001  -5.774   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       2.002   1.156   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.334   1.924   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.334   3.464   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.002   4.234   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.667   3.464   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       0.667   1.924   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       4.669   1.156   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.669   4.234   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.002   5.774   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.667   4.234   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -1.999   3.464   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -0.667   5.774   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    9                                                  
CONECT    6    5    7   13                                                  
CONECT    7    6                                                            
CONECT    8    2    9                                                       
CONECT    9    5    8   10                                                  
CONECT   10    9                                                            
CONECT   11    4   12                                                       
CONECT   12   11   13   19                                                  
CONECT   13    6   12   14                                                  
CONECT   14   13   22                                                       
CONECT   15   16   20                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   12   18   20                                                  
CONECT   20   15   19                                                       
CONECT   21   16                                                            
CONECT   22   14   23   27                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   29                                                  
CONECT   25   24   26   30                                                  
CONECT   26   25   27   31                                                  
CONECT   27   22   26                                                       
CONECT   28   23                                                            
CONECT   29   24                                                            
CONECT   30   25                                                            
CONECT   31   26   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END
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3D PDB for HMDB0029500 (Kaempferol 3-glucuronide)

COMPND    HMDB0253753
HETATM    1  O1  UNL     1       4.518  -2.434   1.610  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.424  -2.469   1.000  1.00  0.00           C  
HETATM    3  O2  UNL     1       2.698  -3.644   1.008  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.969  -1.245   0.302  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.748  -1.461  -0.316  1.00  0.00           O  
HETATM    6  C3  UNL     1       1.380  -0.291  -0.976  1.00  0.00           C  
HETATM    7  O4  UNL     1       0.029  -0.217  -1.300  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.930   0.522  -0.670  1.00  0.00           C  
HETATM    9  C5  UNL     1      -1.750  -0.023   0.272  1.00  0.00           C  
HETATM   10  C6  UNL     1      -1.741  -1.415   0.705  1.00  0.00           C  
HETATM   11  C7  UNL     1      -2.403  -1.723   1.891  1.00  0.00           C  
HETATM   12  C8  UNL     1      -2.484  -3.018   2.317  1.00  0.00           C  
HETATM   13  C9  UNL     1      -1.937  -4.073   1.628  1.00  0.00           C  
HETATM   14  O5  UNL     1      -2.054  -5.365   2.113  1.00  0.00           O  
HETATM   15  C10 UNL     1      -1.283  -3.777   0.457  1.00  0.00           C  
HETATM   16  C11 UNL     1      -1.198  -2.462   0.019  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.656   0.781   0.862  1.00  0.00           O  
HETATM   18  C12 UNL     1      -2.788   2.047   0.574  1.00  0.00           C  
HETATM   19  C13 UNL     1      -3.723   2.843   1.193  1.00  0.00           C  
HETATM   20  C14 UNL     1      -3.853   4.173   0.882  1.00  0.00           C  
HETATM   21  O7  UNL     1      -4.809   4.987   1.516  1.00  0.00           O  
HETATM   22  C15 UNL     1      -3.056   4.748  -0.054  1.00  0.00           C  
HETATM   23  C16 UNL     1      -2.086   3.988  -0.718  1.00  0.00           C  
HETATM   24  O8  UNL     1      -1.324   4.611  -1.637  1.00  0.00           O  
HETATM   25  C17 UNL     1      -1.973   2.668  -0.394  1.00  0.00           C  
HETATM   26  C18 UNL     1      -1.039   1.870  -1.009  1.00  0.00           C  
HETATM   27  O9  UNL     1      -0.263   2.292  -1.875  1.00  0.00           O  
HETATM   28  C19 UNL     1       2.236  -0.278  -2.218  1.00  0.00           C  
HETATM   29  O10 UNL     1       1.830   0.566  -3.211  1.00  0.00           O  
HETATM   30  C20 UNL     1       3.627   0.088  -1.737  1.00  0.00           C  
HETATM   31  O11 UNL     1       3.674   1.456  -1.475  1.00  0.00           O  
HETATM   32  C21 UNL     1       4.058  -0.737  -0.557  1.00  0.00           C  
HETATM   33  O12 UNL     1       4.910   0.053   0.214  1.00  0.00           O  
HETATM   34  H1  UNL     1       2.261  -4.010   1.852  1.00  0.00           H  
HETATM   35  H2  UNL     1       2.768  -0.489   1.117  1.00  0.00           H  
HETATM   36  H3  UNL     1       1.719   0.519  -0.294  1.00  0.00           H  
HETATM   37  H4  UNL     1      -2.850  -0.937   2.473  1.00  0.00           H  
HETATM   38  H5  UNL     1      -3.015  -3.207   3.255  1.00  0.00           H  
HETATM   39  H6  UNL     1      -2.858  -5.912   1.827  1.00  0.00           H  
HETATM   40  H7  UNL     1      -0.848  -4.592  -0.096  1.00  0.00           H  
HETATM   41  H8  UNL     1      -0.700  -2.299  -0.911  1.00  0.00           H  
HETATM   42  H9  UNL     1      -4.372   2.408   1.945  1.00  0.00           H  
HETATM   43  H10 UNL     1      -4.502   5.459   2.369  1.00  0.00           H  
HETATM   44  H11 UNL     1      -3.120   5.793  -0.334  1.00  0.00           H  
HETATM   45  H12 UNL     1      -0.613   4.324  -2.212  1.00  0.00           H  
HETATM   46  H13 UNL     1       2.348  -1.342  -2.598  1.00  0.00           H  
HETATM   47  H14 UNL     1       2.029   0.185  -4.119  1.00  0.00           H  
HETATM   48  H15 UNL     1       4.343  -0.109  -2.564  1.00  0.00           H  
HETATM   49  H16 UNL     1       4.567   1.850  -1.633  1.00  0.00           H  
HETATM   50  H17 UNL     1       4.678  -1.617  -0.889  1.00  0.00           H  
HETATM   51  H18 UNL     1       4.416   0.913   0.399  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   34
CONECT    4    5   32   35
CONECT    5    6
CONECT    6    7   28   36
CONECT    7    8
CONECT    8    9    9   26
CONECT    9   10   17
CONECT   10   11   11   16
CONECT   11   12   37
CONECT   12   13   13   38
CONECT   13   14   15
CONECT   14   39
CONECT   15   16   16   40
CONECT   16   41
CONECT   17   18
CONECT   18   19   19   25
CONECT   19   20   42
CONECT   20   21   22   22
CONECT   21   43
CONECT   22   23   44
CONECT   23   24   25   25
CONECT   24   45
CONECT   25   26
CONECT   26   27   27
CONECT   28   29   30   46
CONECT   29   47
CONECT   30   31   32   48
CONECT   31   49
CONECT   32   33   50
CONECT   33   51
END
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SMILES for HMDB0029500 (Kaempferol 3-glucuronide)

OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O
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INCHI for HMDB0029500 (Kaempferol 3-glucuronide)

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Kaempferol 3-O-glucuronideHMDB
6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylateGenerator
Chemical FormulaC21H18O12
Average Molecular Weight462.3604
Monoisotopic Molecular Weight462.07982604
IUPAC Name6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Traditional Name6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS Registry Number22688-78-4
SMILES
OC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O
InChI Identifier
InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)
InChI KeyFNTJVYCFNVUBOL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glucuronides
Alternative Parents
Substituents
  • Flavonoid-3-o-glucuronide
  • Flavonoid-3-o-glycoside
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • 1-o-glucuronide
  • O-glucuronide
  • Glucuronic acid or derivatives
  • Hexose monosaccharide
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • 1-benzopyran
  • Beta-hydroxy acid
  • Pyranone
  • Phenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Benzenoid
  • Pyran
  • Hydroxy acid
  • Monosaccharide
  • Oxane
  • Vinylogous acid
  • Heteroaromatic compound
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Acetal
  • Organoheterocyclic compound
  • Polyol
  • Oxacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organooxygen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point189 - 190.5 °CNot Available
Boiling Point876.80 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility3101 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.300 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.96 g/LALOGPS
logP1.4ALOGPS
logP0.48ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)2.71ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area203.44 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity107.16 m³·mol⁻¹ChemAxon
Polarizability42.39 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+196.47130932474
DeepCCS[M-H]-194.07630932474
DeepCCS[M-2H]-226.95830932474
DeepCCS[M+Na]+202.38430932474
AllCCS[M+H]+203.932859911
AllCCS[M+H-H2O]+201.632859911
AllCCS[M+NH4]+206.132859911
AllCCS[M+Na]+206.832859911
AllCCS[M-H]-201.232859911
AllCCS[M+Na-2H]-201.432859911
AllCCS[M+HCOO]-201.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Kaempferol 3-glucuronideOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O5924.7Standard polar33892256
Kaempferol 3-glucuronideOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O4235.2Standard non polar33892256
Kaempferol 3-glucuronideOC1C(O)C(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)OC(C1O)C(O)=O4437.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Kaempferol 3-glucuronide,1TMS,isomer #1C[Si](C)(C)OC1C(O)C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C1O4324.8Semi standard non polar33892256
Kaempferol 3-glucuronide,1TMS,isomer #2C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O4325.2Semi standard non polar33892256
Kaempferol 3-glucuronide,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14382.1Semi standard non polar33892256
Kaempferol 3-glucuronide,1TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O24322.7Semi standard non polar33892256
Kaempferol 3-glucuronide,1TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14361.7Semi standard non polar33892256
Kaempferol 3-glucuronide,1TMS,isomer #6C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O4309.4Semi standard non polar33892256
Kaempferol 3-glucuronide,1TMS,isomer #7C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4309.4Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #1C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O[Si](C)(C)C4263.2Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O4268.4Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #11C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C)C1O4273.2Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #12C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14279.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #13C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O4281.2Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #14C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14273.1Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14301.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14282.4Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #17C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O4240.7Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O24249.7Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4274.8Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14255.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14258.6Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #21C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4261.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C14268.2Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O24249.1Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #5C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4260.4Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #6C[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C4256.9Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14275.9Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #8C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14288.4Semi standard non polar33892256
Kaempferol 3-glucuronide,2TMS,isomer #9C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O24265.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14178.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #10C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C14108.8Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #11C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4149.9Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C14171.8Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #13C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4126.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #14C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O24152.7Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #15C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4199.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #16C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14192.6Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14166.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #18C[Si](C)(C)OC(=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)C(O)C1O4185.7Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14185.7Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14181.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #20C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14154.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #21C[Si](C)(C)OC(=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)C(O)C1O4182.2Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #22C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14185.7Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #23C[Si](C)(C)OC(=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)C(O)C1O4160.9Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #24C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O24169.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #25C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4218.2Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #26C[Si](C)(C)OC(=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)C(O)C1O4145.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #27C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14134.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14160.6Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #29C[Si](C)(C)OC(=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)C(O)C1O4177.1Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O24161.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #30C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4178.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #31C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14175.6Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #32C[Si](C)(C)OC(=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)C(O)C1O4155.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14147.8Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #34C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4157.1Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #35C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C4181.2Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #4C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4200.4Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #5C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4206.6Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #6C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14143.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14120.4Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #8C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O4148.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14166.6Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14110.0Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #10C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4180.6Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #11C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14055.0Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #12C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4055.3Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #13C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14085.9Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #14C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4033.3Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14070.7Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #16C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4114.3Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #17C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4030.9Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #18C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C14054.6Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #19C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4121.9Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14090.1Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #20C[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4098.5Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14095.6Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #22C[Si](C)(C)OC(=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)C(O)C1O4128.9Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #23C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14108.6Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #24C[Si](C)(C)OC(=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)C(O)C1O4105.9Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14091.2Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #26C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4150.7Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #27C[Si](C)(C)OC(=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)C(O)C1O4089.8Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #28C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14071.4Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #29C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4155.1Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #3C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4120.9Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #30C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4136.7Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #31C[Si](C)(C)OC(=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)C(O)C1O4063.9Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #32C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4075.3Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #33C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14065.8Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #34C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4113.1Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #35C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4092.3Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #4C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14143.7Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #5C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14076.5Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #6C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4130.2Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #7C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14139.4Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #8C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4102.8Semi standard non polar33892256
Kaempferol 3-glucuronide,4TMS,isomer #9C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O24114.8Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #1C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14034.7Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #10C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C4097.5Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #11C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4017.7Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #12C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14026.4Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #13C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C4047.5Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #14C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C4029.4Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #15C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C3999.0Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #16C[Si](C)(C)OC(=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)C(O)C1O4037.4Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #17C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14039.9Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #18C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4081.2Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #19C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4066.9Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #2C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4052.5Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #20C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4035.5Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #21C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4032.3Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #3C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C14071.6Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #4C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O4030.2Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C14054.6Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #6C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C4125.2Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #7C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O3998.9Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #8C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14028.8Semi standard non polar33892256
Kaempferol 3-glucuronide,5TMS,isomer #9C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C4116.6Semi standard non polar33892256
Kaempferol 3-glucuronide,6TMS,isomer #1C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O3973.3Semi standard non polar33892256
Kaempferol 3-glucuronide,6TMS,isomer #2C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C14009.7Semi standard non polar33892256
Kaempferol 3-glucuronide,6TMS,isomer #3C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C4048.3Semi standard non polar33892256
Kaempferol 3-glucuronide,6TMS,isomer #4C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C4028.6Semi standard non polar33892256
Kaempferol 3-glucuronide,6TMS,isomer #5C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C3987.7Semi standard non polar33892256
Kaempferol 3-glucuronide,6TMS,isomer #6C[Si](C)(C)OC(=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)C(O[Si](C)(C)C)C1O[Si](C)(C)C3986.9Semi standard non polar33892256
Kaempferol 3-glucuronide,6TMS,isomer #7C[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C4016.1Semi standard non polar33892256
Kaempferol 3-glucuronide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(O)C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C1O4619.9Semi standard non polar33892256
Kaempferol 3-glucuronide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O4623.4Semi standard non polar33892256
Kaempferol 3-glucuronide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14619.6Semi standard non polar33892256
Kaempferol 3-glucuronide,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O24594.9Semi standard non polar33892256
Kaempferol 3-glucuronide,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14613.8Semi standard non polar33892256
Kaempferol 3-glucuronide,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O4605.6Semi standard non polar33892256
Kaempferol 3-glucuronide,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O4598.0Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O)C1O[Si](C)(C)C(C)(C)C4740.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4745.3Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O4736.6Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14706.1Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4738.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14715.0Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14740.9Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C14712.0Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4709.2Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O24690.9Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4737.6Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14710.2Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14706.9Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C4745.6Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C14714.7Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O24695.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O4734.8Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(C(=O)O)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C4718.1Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14726.6Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14734.5Semi standard non polar33892256
Kaempferol 3-glucuronide,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O24711.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14796.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C14768.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=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)C(O[Si](C)(C)C(C)(C)C)C1O4809.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C14769.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=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)C(O[Si](C)(C)C(C)(C)C)C1O4771.7Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O24737.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4818.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14827.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C14792.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4835.1Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14799.2Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14791.2Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14771.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4825.1Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C14795.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4785.4Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O24765.9Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C(C)(C)C4853.4Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4798.4Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C14747.4Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14848.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4853.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O24761.1Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C(C)(C)C4816.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14801.2Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O4814.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C14770.5Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C(C)(C)C4776.6Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC(=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)C(O)C1O[Si](C)(C)C(C)(C)C4828.2Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=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)C(O[Si](C)(C)C(C)(C)C)C1O4826.0Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C4799.3Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C14814.8Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C14782.4Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=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)C(O[Si](C)(C)C(C)(C)C)C1O4813.6Semi standard non polar33892256
Kaempferol 3-glucuronide,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C14770.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4l-9105200000-d004a17186cb587e7dc22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (3 TMS) - 70eV, Positivesplash10-03di-4221119000-f2ac019daca3c701e0922017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_20) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_3_31) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_3_33) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_4_33) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS ("Kaempferol 3-glucuronide,2TMS,#20" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Kaempferol 3-glucuronide GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Negative-QTOFsplash10-000i-0190100000-9fb3c360adb8bceb1aad2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-000i-0090000000-c2e29d689f1b1f5536182021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-01p9-0190500000-a420056171bccd29714a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-000i-0190000000-5f5d494914074a8876832021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-01p9-0090400000-d5d70cd9aa29b024532b2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-000i-0190100000-be5a5766370789a8bc842021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-000i-0090000000-daa9a58ee091e1b7989d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-056r-1950000000-f9d19c49a98d6c343eba2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-000i-0190100000-d7cd9684603d21457f002021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-000i-0190000000-509744321912fc0235882021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-000i-0290000000-553455edaf7f08ce5d512021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-06ri-1940000000-b146e97833ee4a5ac8da2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Kaempferol 3-glucuronide 6V, Positive-QTOFsplash10-01p9-0190400000-fd15e974db1fac2b045f2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 10V, Positive-QTOFsplash10-000j-0170900000-1e4e727a77229b6993eb2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 20V, Positive-QTOFsplash10-000i-0090100000-404ced678a3392b5aa5c2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 40V, Positive-QTOFsplash10-00kr-2590000000-d78ceaa8baa9bf67cd332015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 10V, Positive-QTOFsplash10-000j-0170900000-1e4e727a77229b6993eb2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 20V, Positive-QTOFsplash10-000i-0090100000-404ced678a3392b5aa5c2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 40V, Positive-QTOFsplash10-00kr-2590000000-d78ceaa8baa9bf67cd332015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 10V, Negative-QTOFsplash10-03dr-1141900000-2de4c77a59276fcc79f42015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 20V, Negative-QTOFsplash10-000i-2191200000-821a7aa34257929af4692015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 40V, Negative-QTOFsplash10-000i-3490000000-03573ca62c35318e42682015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 10V, Negative-QTOFsplash10-03dr-1141900000-2de4c77a59276fcc79f42015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 20V, Negative-QTOFsplash10-000i-2191200000-821a7aa34257929af4692015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Kaempferol 3-glucuronide 40V, Negative-QTOFsplash10-000i-3490000000-03573ca62c35318e42682015-04-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound ID305
FooDB IDFDB000634
KNApSAcK IDC00005141
Chemspider ID11500908
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14185731
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1700021
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. UDP-glucuronosyltransferase 2B4
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGTs are of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isozyme is active on polyhydroxylated estrogens (such as estriol, 4-hydroxyestrone and 2-hydroxyestriol) and xenobiotics (such as 4-methylumbelliferone, 1-naphthol, 4-nitrophenol, 2-aminophenol, 4-hydroxybiphenyl and menthol). It is capable of 6 alpha-hydroxyglucuronidation of hyodeoxycholic acid.
Gene Name:
UGT2B4
Uniprot ID:
P06133
Molecular weight:
60512.035
Enzyme Details
2. UDP-glucuronosyltransferase 1-4
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate.
Gene Name:
UGT1A4
Uniprot ID:
P22310
Molecular weight:
60024.535
Enzyme Details
3. UDP-glucuronosyltransferase 2B7
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. Its unique specificity for 3,4-catechol estrogens and estriol suggests it may play an important role in regulating the level and activity of these potent and active estrogen metabolites. Is also active with androsterone, hyodeoxycholic acid and tetrachlorocatechol (in vitro).
Gene Name:
UGT2B7
Uniprot ID:
P16662
Molecular weight:
60720.15
Enzyme Details
4. UDP-glucuronosyltransferase 1-1
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:
UGT1A1
Uniprot ID:
P22309
Molecular weight:
59590.91
Reactions
Kaempferol → Kaempferol 3-glucuronidedetails
Enzyme Details
5. UDP-glucuronosyltransferase 1-9
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:
UGT1A9
Uniprot ID:
O60656
Molecular weight:
59940.495
Enzyme Details
6. UDP-glucuronosyltransferase 1-6
General function:
Involved in transferase activity, transferring hexosyl groups
Specific function:
UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform has specificity for phenols.
Gene Name:
UGT1A6
Uniprot ID:
P19224
Molecular weight:
60750.215