Structure database (LMSD)

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LM IDLMPK12111160
Common NameScutellarein (W)
Systematic Name-
Synonyms-
Exact Mass
286.0477 (neutral)    Calculate m/z:
FormulaC15H10O6
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID5281697
METABOLOMICS IDFL3FEANS0002
HMDB IDHMDB0128587
CAYMAN ID24977
InChIKeyJVXZRQGOGOXCEC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20
/h1-6,16,18-20H
SMILESC1(O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings3Rotatable Bonds1
 van der Waals
Molecular Volume
229.90Topological Polar
Surface Area
111.13Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
6
 logP3.18Molar
Refractivity
74.69