Structure database (LMSD)

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LM IDLMPK12112589
Common NameRhamnocitrin
Systematic Name3,4',5-Trihydroxy-7-methoxyflavone
Synonyms7-Methylkaempferol
Exact Mass
300.0634 (neutral)    Calculate m/z:
FormulaC16H12O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5320946
METABOLOMICS IDFL5FCANS0001
KEGG IDC17059
CHEBI ID80897
InChIKeyMQSZRBPYXNEFHF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H12O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
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SMILES
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
247.20Topological Polar
Surface Area
100.13Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP3.49Molar
Refractivity
79.57