Structure database (LMSD)

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LM IDLMPK12130025
Common Name-
Systematic Name4-Methoxyfurano[2'',3'':6,7]aurone
Synonyms-
Exact Mass
292.0736 (neutral)    Calculate m/z:
FormulaC18H12O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607757
METABOLOMICS IDFL1AA9NF0002
InChIKeyBOHPRJVZPGQJKI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C18H12O4/c1-20-14-10-13-12(7-8-21-13)18-16(14)17(19)15(22-18)9-11-5-3-2-4-6-11/h2-10H,1H3
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SMILES
C12C(=O)C(=CC3C=CC=CC=3)OC=1C1C=COC=1C=C2OC
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings3Rotatable Bonds2
 van der Waals
Molecular Volume
249.22Topological Polar
Surface Area
50.74Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
4
 logP4.06Molar
Refractivity
82.14