Structure database (LMSD)

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LM IDLMPK12010417
Common NameRosinidin (W)
Systematic Name-
Synonyms-
Exact Mass
315.0869 (neutral)    Calculate m/z:
FormulaC17H15O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAnthocyanidins [PK1201]
PubChem CID441777
METABOLOMICS IDFL7ACDNS0001
KEGG IDC08729
CHEBI ID8893
InChIKeyGNONHFYAESLOCB-UHFFFAOYSA-O  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H14O6/c1-21-10-6-13(19)11-8-14(20)17(23-15(11)7-10)9-3-4-12(18)16(5-9)22-2/h3-8H,1-2H3,(H2-,18,19,20)/p+1
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SMILES
C1(OC)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O)=CC=2C(O)=C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings3Aromatic Rings3Rotatable Bonds3
 van der Waals
Molecular Volume
265.82Topological Polar
Surface Area
90.45Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP3.51Molar
Refractivity
84.16