Structure database (LMSD)

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LM IDLMPK12130027
Common Name-
Systematic Name4,6,4'-Trihydroxyaurone 6-rhamnoside
Synonyms-
Exact Mass
416.1107 (neutral)    Calculate m/z:
FormulaC21H20O9
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607759
METABOLOMICS IDFL1AAAGS0001
InChIKeyZWKNCUQZWIAEDC-GAJXILFFSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H20O9/c1-9-17(24)19(26)20(27)21(28-9)29-12-7-13(23)16-14(8-12)30-15(
18(16)25)6-10-2-4-11(22)5-3-10/h2-9,17,19-24,26-27H,1H3/t9?,17-,19-,20?,21-/m0/s
1
SMILESC12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O)C=C2O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
358.61Topological Polar
Surface Area
150.05Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
9
 logP2.35Molar
Refractivity
104.69