Structure database (LMSD)

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LM IDLMPK12020239
Common Name7,3'-Dihydroxy-4'-methoxy-8-methylflavan
Systematic Name-
Synonyms-
Exact Mass
286.1205 (neutral)    Calculate m/z:
FormulaC17H18O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavans, Flavanols and Leucoanthocyanidins [PK1202]
PubChem CID442358
METABOLOMICS IDFL6F1CNM0001
KEGG IDC09646
CHEBI ID2244
InChIKeyXVHKLOFEZNFSRF-HNNXBMFYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C17H18O4/c1-10-13(18)6-3-11-4-7-15(21-17(10)11)12-5-8-16(20-2)14(19)9-12/h3,5-6,8-9,15,18-19H,4,7H2,1-2H3/t15-/m0/s1
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SMILES
C1(O)C(C)=C2O[C@]([H])(C3C=CC(OC)=C(O)C=3)CCC2=CC=1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
263.10Topological Polar
Surface Area
60.99Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP3.48Molar
Refractivity
79.19