Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK12160011
Common NameEuchretin A
Systematic Name-
Synonyms-
Exact Mass
502.1992 (neutral)    Calculate m/z:
FormulaC30H30O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID10368763
METABOLOMICS IDFLIG1LNP0002
InChIKeyPVEAILZIDDKAJE-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H30O7/c1-14(2)7-9-16-23(32)17(10-8-15(3)4)28-22(24(16)33)25(34)21-19
-13-20(31)27-18(11-12-30(5,6)37-27)26(19)35-29(21)36-28/h7-8,11-13,31-33H,9-10H2
,1-6H3
SMILESC1(O)=C(C/C=C(/C)\C)C2OC3OC4C(=CC(O)=C5OC(C)(C)C=CC5=4)C=3C(=O)C=2C(O)=C1C/C=C(\
C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings5Aromatic Rings3Rotatable Bonds4
 van der Waals
Molecular Volume
465.55Topological Polar
Surface Area
113.50Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP8.07Molar
Refractivity
143.62