Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:30:47 UTC

Update Date

2022-03-07 02:52:11 UTC

HMDB ID

HMDB0029502

Secondary Accession Numbers

HMDB29502

Metabolite Identification

Common Name

Kaempferol 3-alpha-L-arabinofuranoside

Description

Kaempferol 3-alpha-L-arabinofuranoside 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-alpha-L-arabinofuranoside has been detected, but not quantified in, several different foods, such as pears (Pyrus communis), fennels (Foeniculum vulgare), rose hips (Rosa), nuts, and common walnuts (Juglans regia). This could make kaempferol 3-alpha-L-arabinofuranoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Kaempferol 3-alpha-L-arabinofuranoside.

Structure

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


  Mrv0541 02241216022D          

 30 33  0  0  0  0            999 V2000
   -3.2152   -1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567   -0.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567    0.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003   -0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -0.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866    0.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567   -1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569   -0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050    0.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6593    1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1739    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095    3.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9695    2.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7386    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5237    0.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -2.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867   -3.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   -3.2014    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 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  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  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END

HMDB0029502
     RDKit          3D
Kaempferol 3-alpha-L-arabinofuranoside
 48 51  0  0  0  0  0  0  0  0999 V2000
    0.2782   -2.6140    1.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.9479    0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -0.5512    0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758   -0.0008    1.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6385    0.2569    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821   -0.7467    0.8335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -0.2219    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4332   -0.9239   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6996   -0.3998   -0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.2430    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8407    1.5309   -1.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    1.5512    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.8965    2.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832    0.1960    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    1.6542    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045    2.2522   -0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9055    3.6154   -0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1315    4.4169    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509    5.7980    0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    3.8450    1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    2.4570    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6839   -0.4938   -0.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797   -1.7607   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8627   -2.3727   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9539   -3.7359   -1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0522   -4.3703   -1.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574   -4.5191   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8396   -3.9403    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744   -4.7842    0.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -2.5734    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684    0.1400   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794   -0.4489    1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738   -0.6666   -1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -2.0057   -0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4237   -1.0710   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4647    1.7830    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7259    1.9506   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582    2.3901    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4408    1.1153    2.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3501    1.6610   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6504    4.0659   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685    6.4006   -0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741    4.4666    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    2.0605    1.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6804   -1.7818   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0039   -4.5449   -2.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9896   -5.6044   -0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308   -4.6671    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 12  5  1  0
 21 15  1  0
 30 23  1  0
  5 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  0
 13 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 29 48  1  0
M  END


  Mrv0541 02241216022D          

 30 33  0  0  0  0            999 V2000
   -3.2152   -1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567   -0.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567    0.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5003   -0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866   -0.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7866    0.5108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3567   -1.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3569   -0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.3141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4050    0.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6593    1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1739    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5095    3.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9695    2.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842    1.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7386    0.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5237    0.7418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5003   -2.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867   -3.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7867   -1.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2152   -3.2014    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 28  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  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  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029502

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2

> <INCHI_KEY>
POQICXMTUPVZMX-UHFFFAOYSA-N

> <FORMULA>
C20H18O10

> <MOLECULAR_WEIGHT>
418.3509

> <EXACT_MASS>
418.089996796

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
39.7486104591771

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
0.99

> <JCHEM_LOGP>
0.7890649676666666

> <ALOGPS_LOGS>
-2.61

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.440214953827674

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433890258159877

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981152416465515

> <JCHEM_POLAR_SURFACE_AREA>
166.14000000000001

> <JCHEM_REFRACTIVITY>
101.33210000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.02e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029502
     RDKit          3D
Kaempferol 3-alpha-L-arabinofuranoside
 48 51  0  0  0  0  0  0  0  0999 V2000
    0.2782   -2.6140    1.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.9479    0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -0.5512    0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758   -0.0008    1.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6385    0.2569    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821   -0.7467    0.8335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -0.2219    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4332   -0.9239   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6996   -0.3998   -0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.2430    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8407    1.5309   -1.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    1.5512    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.8965    2.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832    0.1960    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    1.6542    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045    2.2522   -0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9055    3.6154   -0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1315    4.4169    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509    5.7980    0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    3.8450    1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    2.4570    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6839   -0.4938   -0.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797   -1.7607   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8627   -2.3727   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9539   -3.7359   -1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0522   -4.3703   -1.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574   -4.5191   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8396   -3.9403    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744   -4.7842    0.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -2.5734    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684    0.1400   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794   -0.4489    1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738   -0.6666   -1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -2.0057   -0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4237   -1.0710   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4647    1.7830    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7259    1.9506   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582    2.3901    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4408    1.1153    2.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3501    1.6610   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6504    4.0659   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685    6.4006   -0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741    4.4666    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    2.0605    1.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6804   -1.7818   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0039   -4.5449   -2.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9896   -5.6044   -0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308   -4.6671    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 12  5  1  0
 21 15  1  0
 30 23  1  0
  5 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  0
 13 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 29 48  1  0
M  END

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      -6.002  -3.666   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -4.667  -2.896   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.335  -3.666   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.001  -2.896   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.001  -1.356   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.666  -0.586   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.666   0.953   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -4.667  -1.356   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.335  -0.586   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -3.335   0.953   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.666  -3.666   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       0.666  -2.896   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.666  -1.356   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.001  -0.586   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.001   0.953   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.756   1.859   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       1.231   3.325   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.325   4.570   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.951   5.976   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       3.676   4.570   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.771   3.325   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.245   1.859   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.711   1.385   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.667  -3.666   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.667  -5.206   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.335  -5.976   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.001  -5.206   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.001  -3.666   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.335  -2.896   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.002  -5.976   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   28                                                  
CONECT   13    6   12   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   21                                                            
CONECT   21   17   20   22                                                  
CONECT   22   15   21   23                                                  
CONECT   23   22                                                            
CONECT   24   25   29                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   12   27   29                                                  
CONECT   29   24   28                                                       
CONECT   30   25                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   66    0
END

COMPND    HMDB0029502
HETATM    1  O1  UNL     1       0.278  -2.614   1.167  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.674  -1.948   0.706  1.00  0.00           C  
HETATM    3  C2  UNL     1      -0.661  -0.551   0.771  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.476  -0.001   1.365  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.638   0.257   0.584  1.00  0.00           C  
HETATM    6  O3  UNL     1       2.582  -0.747   0.834  1.00  0.00           O  
HETATM    7  C4  UNL     1       3.822  -0.222   0.610  1.00  0.00           C  
HETATM    8  C5  UNL     1       4.433  -0.924  -0.609  1.00  0.00           C  
HETATM    9  O4  UNL     1       5.700  -0.400  -0.851  1.00  0.00           O  
HETATM   10  C6  UNL     1       3.732   1.243   0.342  1.00  0.00           C  
HETATM   11  O5  UNL     1       3.841   1.531  -1.022  1.00  0.00           O  
HETATM   12  C7  UNL     1       2.307   1.551   0.808  1.00  0.00           C  
HETATM   13  O6  UNL     1       2.433   1.896   2.154  1.00  0.00           O  
HETATM   14  C8  UNL     1      -1.683   0.196   0.281  1.00  0.00           C  
HETATM   15  C9  UNL     1      -1.756   1.654   0.308  1.00  0.00           C  
HETATM   16  C10 UNL     1      -2.704   2.252  -0.498  1.00  0.00           C  
HETATM   17  C11 UNL     1      -2.905   3.615  -0.527  1.00  0.00           C  
HETATM   18  C12 UNL     1      -2.131   4.417   0.281  1.00  0.00           C  
HETATM   19  O7  UNL     1      -2.351   5.798   0.237  1.00  0.00           O  
HETATM   20  C13 UNL     1      -1.184   3.845   1.091  1.00  0.00           C  
HETATM   21  C14 UNL     1      -0.991   2.457   1.110  1.00  0.00           C  
HETATM   22  O8  UNL     1      -2.684  -0.494  -0.262  1.00  0.00           O  
HETATM   23  C15 UNL     1      -2.780  -1.761  -0.366  1.00  0.00           C  
HETATM   24  C16 UNL     1      -3.863  -2.373  -0.948  1.00  0.00           C  
HETATM   25  C17 UNL     1      -3.954  -3.736  -1.052  1.00  0.00           C  
HETATM   26  O9  UNL     1      -5.052  -4.370  -1.643  1.00  0.00           O  
HETATM   27  C18 UNL     1      -2.957  -4.519  -0.574  1.00  0.00           C  
HETATM   28  C19 UNL     1      -1.840  -3.940   0.025  1.00  0.00           C  
HETATM   29  O10 UNL     1      -0.874  -4.784   0.485  1.00  0.00           O  
HETATM   30  C20 UNL     1      -1.750  -2.573   0.129  1.00  0.00           C  
HETATM   31  H1  UNL     1       1.368   0.140  -0.483  1.00  0.00           H  
HETATM   32  H2  UNL     1       4.479  -0.449   1.499  1.00  0.00           H  
HETATM   33  H3  UNL     1       3.774  -0.667  -1.465  1.00  0.00           H  
HETATM   34  H4  UNL     1       4.421  -2.006  -0.469  1.00  0.00           H  
HETATM   35  H5  UNL     1       6.424  -1.071  -0.726  1.00  0.00           H  
HETATM   36  H6  UNL     1       4.465   1.783   0.947  1.00  0.00           H  
HETATM   37  H7  UNL     1       4.726   1.951  -1.169  1.00  0.00           H  
HETATM   38  H8  UNL     1       1.858   2.390   0.279  1.00  0.00           H  
HETATM   39  H9  UNL     1       2.441   1.115   2.737  1.00  0.00           H  
HETATM   40  H10 UNL     1      -3.350   1.661  -1.163  1.00  0.00           H  
HETATM   41  H11 UNL     1      -3.650   4.066  -1.163  1.00  0.00           H  
HETATM   42  H12 UNL     1      -1.868   6.401  -0.394  1.00  0.00           H  
HETATM   43  H13 UNL     1      -0.574   4.467   1.726  1.00  0.00           H  
HETATM   44  H14 UNL     1      -0.256   2.061   1.789  1.00  0.00           H  
HETATM   45  H15 UNL     1      -4.680  -1.782  -1.343  1.00  0.00           H  
HETATM   46  H16 UNL     1      -5.004  -4.545  -2.634  1.00  0.00           H  
HETATM   47  H17 UNL     1      -2.990  -5.604  -0.636  1.00  0.00           H  
HETATM   48  H18 UNL     1      -0.031  -4.667   0.923  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   30
CONECT    3    4   14   14
CONECT    4    5
CONECT    5    6   12   31
CONECT    6    7
CONECT    7    8   10   32
CONECT    8    9   33   34
CONECT    9   35
CONECT   10   11   12   36
CONECT   11   37
CONECT   12   13   38
CONECT   13   39
CONECT   14   15   22
CONECT   15   16   16   21
CONECT   16   17   40
CONECT   17   18   18   41
CONECT   18   19   20
CONECT   19   42
CONECT   20   21   21   43
CONECT   21   44
CONECT   22   23
CONECT   23   24   24   30
CONECT   24   25   45
CONECT   25   26   27   27
CONECT   26   46
CONECT   27   28   47
CONECT   28   29   30   30
CONECT   29   48
END

HMDB0029502
     RDKit          3D
Kaempferol 3-alpha-L-arabinofuranoside
 48 51  0  0  0  0  0  0  0  0999 V2000
    0.2782   -2.6140    1.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6744   -1.9479    0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6609   -0.5512    0.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4758   -0.0008    1.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6385    0.2569    0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821   -0.7467    0.8335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -0.2219    0.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4332   -0.9239   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6996   -0.3998   -0.8507 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    1.2430    0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8407    1.5309   -1.0223 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    1.5512    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4335    1.8965    2.1545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6832    0.1960    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    1.6542    0.3082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045    2.2522   -0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9055    3.6154   -0.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1315    4.4169    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3509    5.7980    0.2367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1840    3.8450    1.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    2.4570    1.1098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6839   -0.4938   -0.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7797   -1.7607   -0.3655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8627   -2.3727   -0.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9539   -3.7359   -1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0522   -4.3703   -1.6433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9574   -4.5191   -0.5736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8396   -3.9403    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8744   -4.7842    0.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7496   -2.5734    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3684    0.1400   -0.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4794   -0.4489    1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738   -0.6666   -1.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4212   -2.0057   -0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4237   -1.0710   -0.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4647    1.7830    0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7259    1.9506   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582    2.3901    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4408    1.1153    2.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3501    1.6610   -1.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6504    4.0659   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685    6.4006   -0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741    4.4666    1.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2558    2.0605    1.7892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6804   -1.7818   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0039   -4.5449   -2.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9896   -5.6044   -0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0308   -4.6671    0.9234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
  3 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 14 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30  2  1  0
 12  5  1  0
 21 15  1  0
 30 23  1  0
  5 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  0
 13 39  1  0
 16 40  1  0
 17 41  1  0
 19 42  1  0
 20 43  1  0
 21 44  1  0
 24 45  1  0
 26 46  1  0
 27 47  1  0
 29 48  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Kaempferol 3-a-L-arabinofuranoside	Generator
Kaempferol 3-α-L-arabinofuranoside	Generator
Euglanin	HMDB
Juglanin?	HMDB
Kaempferol-3-O-alpha-L-arabinofuranoside	MeSH

Chemical Formula

C₂₀H₁₈O₁₀

Average Molecular Weight

418.3509

Monoisotopic Molecular Weight

418.089996796

IUPAC Name

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

Traditional Name

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

CAS Registry Number

5041-67-8

SMILES

OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O

InChI Identifier

InChI=1S/C20H18O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-1-3-9(22)4-2-8/h1-6,13,15,17,20-25,27H,7H2

InChI Key

POQICXMTUPVZMX-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
O-glycosyl compound
Chromone
Glycosyl compound
Benzopyran
Pentose monosaccharide
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Monosaccharide
Pyran
Benzenoid
Monocyclic benzene moiety
Heteroaromatic compound
Vinylogous acid
Tetrahydrofuran
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Primary alcohol
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: HMDB0029502)
Cytoplasm (HMDB: HMDB0029502)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0029502)

Source

Endogenous

Endogenous (HMDB: HMDB0029502)

Plant

Plant (HMDB: HMDB0029502)

Exogenous

Food

Food (HMDB: HMDB0029502)

Herb and spice

Herb

Fennel (FooDB: FOOD00082)
Rose hip (FooDB: FOOD00446)

Fruit

Pome

Pear (FooDB: FOOD00152)

Vegetable

Leaf vegetable

Jute (FooDB: FOOD00389)

Nut

Common walnut (FooDB: FOOD00094)
Nuts (FooDB: FOOD00869)

Exogenous (HMDB: HMDB0029502)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	224 - 225 °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	1.02 g/L	ALOGPS
logP	0.99	ALOGPS
logP	0.79	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3	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	101.33 m³·mol⁻¹	ChemAxon
Polarizability	39.75 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]+	194.094	30932474
DeepCCS	[M-H]-	191.736	30932474
DeepCCS	[M-2H]-	225.3	30932474
DeepCCS	[M+Na]+	200.467	30932474
AllCCS	[M+H]+	196.2	32859911
AllCCS	[M+H-H2O]+	193.5	32859911
AllCCS	[M+NH4]+	198.7	32859911
AllCCS	[M+Na]+	199.5	32859911
AllCCS	[M-H]-	194.3	32859911
AllCCS	[M+Na-2H]-	194.2	32859911
AllCCS	[M+HCOO]-	194.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-alpha-L-arabinofuranoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	5862.0	Standard polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	3890.3	Standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(O)C1O	4092.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Kaempferol 3-alpha-L-arabinofuranoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	4003.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4037.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	3998.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4009.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C1O	4032.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O	4033.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	3923.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	3916.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	3970.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	3978.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	3937.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	3942.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #15	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O[Si](C)(C)C	3992.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C1O	3957.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C1O	3955.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	3984.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	3972.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #6	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	3929.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #7	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	3974.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	3979.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	3913.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(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	3818.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(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	3921.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #11	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	3854.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #12	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	3859.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	3849.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	3909.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	3831.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	3842.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	3831.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	3843.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	3904.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(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	3821.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	3886.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(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	3864.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(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	3858.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(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	3859.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(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	3901.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(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	3891.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(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	3900.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(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	3891.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(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	3787.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(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	3843.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	3798.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	3791.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	3796.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	3791.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	3788.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(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	3779.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(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	3767.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(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	3773.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(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	3763.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(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	3835.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(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	3798.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(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	3786.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(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	3854.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,5TMS,isomer #1	C[Si](C)(C)OCC1OC(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	3774.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,5TMS,isomer #2	C[Si](C)(C)OCC1OC(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	3761.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,5TMS,isomer #3	C[Si](C)(C)OCC1OC(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	3760.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,5TMS,isomer #4	C[Si](C)(C)OCC1OC(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	3750.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,5TMS,isomer #5	C[Si](C)(C)OCC1OC(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	3737.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,5TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	3768.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,6TMS,isomer #1	C[Si](C)(C)OCC1OC(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	3721.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1O	4275.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4279.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	4272.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4265.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C1O	4318.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O	4316.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(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	4403.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1	4392.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4425.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4436.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4414.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4426.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C1O[Si](C)(C)C(C)(C)C	4476.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(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	4424.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(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	4417.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(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	4465.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(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	4449.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4413.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4434.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4445.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4407.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(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	4517.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(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	4561.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4541.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4544.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	4607.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)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=C1	4540.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	4541.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	4551.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	4518.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	4532.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	4529.2	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(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	4497.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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=C1	4530.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(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	4537.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(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	4515.9	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(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	4519.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(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	4545.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(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	4526.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(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	4532.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(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	4516.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(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	4680.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(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	4581.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)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=C1	4622.0	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4709.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4711.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)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[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	4634.3	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)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=C1	4617.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(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	4637.7	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(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	4629.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(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	4623.5	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(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	4614.8	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(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	4608.4	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(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	4628.6	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(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	4621.1	Semi standard non polar	33892256
Kaempferol 3-alpha-L-arabinofuranoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(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	4600.9	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-alpha-L-arabinofuranoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0c0c-9003100000-40e1c9913f7c4f5e93f6	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside GC-MS (3 TMS) - 70eV, Positive	splash10-01c0-4771049000-aaa73afd3d212a46ae3f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 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-alpha-L-arabinofuranoside 10V, Positive-QTOF	splash10-00kr-1190700000-ef4a8ae589bd8dcb680b	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 20V, Positive-QTOF	splash10-000i-0190000000-4a232439a01bb23d5950	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 40V, Positive-QTOF	splash10-0ap0-4590000000-b218ce6644770474bf98	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 10V, Negative-QTOF	splash10-014r-1073900000-c223732257ec9965057a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 20V, Negative-QTOF	splash10-000i-0191100000-b413a6fb96e4c8aba53d	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 40V, Negative-QTOF	splash10-000l-2690000000-10341e43e7a303f8b445	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 10V, Positive-QTOF	splash10-014i-0000900000-87e8193e02f5791868a0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 20V, Positive-QTOF	splash10-014i-0000900000-f6aa202508e7c101fe80	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 40V, Positive-QTOF	splash10-0uxr-1911300000-d02a8e4312464a61d23c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 10V, Negative-QTOF	splash10-014i-0000900000-b74ea7c0c17556859bcc	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 20V, Negative-QTOF	splash10-014i-0401900000-998a6208a11168f5ebce	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Kaempferol 3-alpha-L-arabinofuranoside 40V, Negative-QTOF	splash10-0frl-2911100000-a7f0e5bd84e1188ffe17	2021-09-22	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

FDB000636

KNApSAcK ID

C00005132

Chemspider ID

35013065

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13245583

PDB ID

Not Available

ChEBI ID

Not Available

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-alpha-L-arabinofuranoside (HMDB0029502)

MOL for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

3D MOL for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

3D SDF for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

3D-SDF for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

PDB for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

3D PDB for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

SMILES for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

INCHI for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

Structure for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

3D Structure for HMDB0029502 (Kaempferol 3-alpha-L-arabinofuranoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra