Structure database (LMSD)

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LM IDLMPK12160023
Common NameLonchocarpic acid
Systematic Name-
SynonymsChandanin
Exact Mass
434.1729 (neutral)    Calculate m/z:
FormulaC26H26O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID54683839
METABOLOMICS IDFLIHBANP0002
InChIKeyQKTFIWUHGFCLHF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)23(30-5)20-21(28)19(2
5(29)31-24(17)20)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3
SMILESC12OC(C)(C)C=CC1=C(OC)C1C(O)=C(C3=CC=C(O)C=C3)C(=O)OC=1C=2C/C=C(/C)\C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings4Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
402.56Topological Polar
Surface Area
91.20Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
6
 logP6.76Molar
Refractivity
125.30