Structure database (LMSD)

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LM IDLMPK12040009
Common NameAmentoflavone (W)
Systematic Name-
Synonyms3',8''-biapigenin
Exact Mass
538.0900 (neutral)    Calculate m/z:
FormulaC30H18O10
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassBiflavonoids and polyflavonoids [PK1204]
PubChem CID5281600
KEGG IDC10018
HMDB IDHMDB0030832
CHEBI ID2631
CAYMAN ID21779
InChIKeyYUSWMAULDXZHPY-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-36H
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SMILES
C1(O)=CC2OC(C3C=CC(O)=C(C4=C(O)C=C(O)C5C(=O)C=C(C6=CC=C(O)C=C6)OC4=5)C=3)=CC(=O)C=2C(O)=C1
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms40Rings6Aromatic Rings6Rotatable Bonds3
 van der Waals
Molecular Volume
433.66Topological Polar
Surface Area
181.80Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
10
 logP6.93Molar
Refractivity
145.04