Structure database (LMSD)

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LM IDLMPK13090005
Common NameResveratrol (W)
Systematic Name-
Synonyms3,4',5-trihydroxystilbene
Exact Mass
228.0786 (neutral)    Calculate m/z:
FormulaC14H12O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem Compound ID (CID)445154
METABOLOMICS ID-
KEGG IDC03582
HMDB IDHMDB03747
YMDB ID-
CHEBI ID36000
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b
2-1+
SMILESOc1ccc(cc1)/C=C/c1cc(O)cc(O)c1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings2Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
212.13Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP2.97Molar
Refractivity
66.81    
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