Structure database (LMSD)

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LM IDLMPK12110005
Common NameApigenin (W)
Systematic Name-
Synonyms-
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5280443
KEGG IDC01477
HMDB IDHMDB0002124
CHEBI ID18388
CAYMAN ID10010275
InChIKeyKZNIFHPLKGYRTM-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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SMILES
C1(O)C=C2OC(C3=CC=C(O)C=C3)=CC(=O)C2=C(O)C=1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
221.11Topological Polar
Surface Area
90.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP3.48Molar
Refractivity
73.02