Structure database (LMSD)

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LM IDLMPK13090035
Common NameDihydroresveratrol
Systematic Name-
Synonyms-
Exact Mass
230.0943 (neutral)    Calculate m/z:
FormulaC14H14O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID185914
KEGG IDC10255
CHEBI ID4582
CAYMAN ID19651
InChIKeyHITJFUSPLYBJPE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
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SMILES
C1=C(O)C=C(CCC2=CC=C(O)C=C2)C=C1O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms17Rings2Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
214.77Topological Polar
Surface Area
60.69Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP2.59Molar
Refractivity
65.29