Structure database (LMSD)

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LM IDLMPK12110002
Common NameIsorhamnetin (W)
Systematic Name-
Synonyms-
Exact Mass
316.0583 (neutral)    Calculate m/z:
FormulaC16H12O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281654
KEGG IDC10084
HMDB IDHMDB0002655
CHEBI ID6052
CAYMAN ID16496
InChIKeyIZQSVPBOUDKVDZ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
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SMILES
C1(O)C=C2OC(C3=CC=C(O)C(OC)=C3)=C(O)C(=O)C2=C(O)C=1
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MS SpectraView MoNA MS spectra     
Ion mobilityView Ion mobility data
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
255.99Topological Polar
Surface Area
120.36Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP3.19Molar
Refractivity
81.24