Structure database (LMSD)

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LM IDLMPK12010002
Common NameCyanidin (W)
Systematic Name-
Synonyms-
Exact Mass
287.0556 (neutral)    Calculate m/z:
FormulaC15H11O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAnthocyanidins [PK1201]
PubChem Compound ID (CID)128861
METABOLOMICS ID-
KEGG IDC05905
HMDB IDHMDB02708
YMDB ID-
CHEBI ID28064
InChIKeyVEVZSMAEJFVWIL-UHFFFAOYSA-O  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h
1-6H,(H4-,16,17,18,19,20)/p+1
SMILESOc1cc2[o+]c(-c3cc(O)c(O)cc3)c(O)cc2c(O)c1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
231.22Topological Polar
Surface Area
112.45Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP2.91Molar
Refractivity
74.38    
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