Structure database (LMSD)

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LM IDLMPK12130024
Common Name-
Systematic Name4-Hydroxyfurano[2'',3'':6,7]aurone
Synonyms-
Exact Mass
278.0579 (neutral)    Calculate m/z:
FormulaC17H10O4
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607756
METABOLOMICS IDFL1AA9NF0001
InChIKeyNULUMMBDIFUOPU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C17H10O4/c18-12-9-13-11(6-7-20-13)17-15(12)16(19)14(21-17)8-10-4-2-1-3-
5-10/h1-9,18H
SMILESC12C(=O)C(=CC3C=CC=CC=3)OC=1C1C=COC=1C=C2O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
231.92Topological Polar
Surface Area
61.74Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.75Molar
Refractivity
77.26