Structure database (LMSD)

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LM IDLMPK12070011
Common Name(-)-Phaseollidin
Systematic Name-
Synonyms-
Exact Mass
324.1362 (neutral)    Calculate m/z:
FormulaC20H20O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID119268
METABOLOMICS IDFLID1ANI0001
InChIKeyOFWYIUYVHYPQNX-JXFKEZNVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(1
6)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
SMILESC1(O)=CC2OC[C@@]3([H])C4C=CC(O)=C(C/C=C(\C)/C)C=4O[C@@]3([H])C=2C=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings4Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
300.00Topological Polar
Surface Area
63.06Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP4.50Molar
Refractivity
91.44