Structure database (LMSD)

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LM IDLMPK13090015
Common NamePterostilbene (W)
Systematic Name-
Synonyms-
Exact Mass
256.1099 (neutral)    Calculate m/z:
FormulaC16H16O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassDiphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]
PubChem CID5281727
KEGG IDC10287
HMDB IDHMDB0130987
CHEBI ID8630
CAYMAN ID13000
InChIKeyVLEUZFDZJKSGMX-ONEGZZNKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
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SMILES
C1=C(OC)C=C(/C=C/C2=CC=C(O)C=C2)C=C1OC
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms19Rings2Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
246.73Topological Polar
Surface Area
38.69Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.58Molar
Refractivity
76.58