Structure database (LMSD)

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LM IDLMPK12111841
Common NameKaempferol 3-xyloside
Systematic Name-
Synonyms-
Exact Mass
418.0900 (neutral)    Calculate m/z:
FormulaC20H18O10
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID21310440
METABOLOMICS IDFL5FAAGS0003
CHEBI ID76294
InChIKeyRNVUDWOQYYWXBJ-BWYUNELBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C20H18O10/c21-9-3-1-8(2-4-9)18-19(30-20-17(27)15(25)12(24)7-28-20)16(26)14-11(23)5-10(22)6-13(14)29-18/h1-6,12,15,17,20-25,27H,7H2/t12-,15+,17-,20+/m1/s1
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SMILES
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)C(=O)C=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
339.20Topological Polar
Surface Area
172.12Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
10
 logP2.72Molar
Refractivity
103.95