Structure database (LMSD)

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LM IDLMPK12130008
Common NameSulfuretin
Systematic Name6,3',4'-Trihydroxyaurone
Synonyms-
Exact Mass
270.0528 (neutral)    Calculate m/z:
FormulaC15H10O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID67111
METABOLOMICS IDFL1A1CNS0001
HMDB IDHMDB0137516
InChIKeyRGNXWPVNPFAADO-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-
7,16-18H
SMILESC12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O)C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings3Aromatic Rings2Rotatable Bonds1
 van der Waals
Molecular Volume
232.01Topological Polar
Surface Area
89.06Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP2.42Molar
Refractivity
70.81