Structure database (LMSD)

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LM IDLMPK12160006
Common NameLupinalbin F
Systematic Name-
Synonyms-
Exact Mass
420.1573 (neutral)    Calculate m/z:
FormulaC25H24O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID44260100
METABOLOMICS IDFLIG1LNI0004
InChIKeyWNJJWUYKQKUQED-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H24O6/c1-12(2)5-7-14-18(27)11-19-21(22(14)28)23(29)20-16-9-10-17(26)
15(8-6-13(3)4)24(16)31-25(20)30-19/h5-6,9-11,26-28H,7-8H2,1-4H3
SMILESC1(O)=CC2OC3OC4C(=CC=C(O)C=4C/C=C(/C)\C)C=3C(=O)C=2C(O)=C1C/C=C(\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings4Rotatable Bonds4
 van der Waals
Molecular Volume
374.36Topological Polar
Surface Area
104.04Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP6.73Molar
Refractivity
121.13