Structure database (LMSD)

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LM IDLMPK12090015
Common NameCorylidin
Systematic Name-
Synonyms-
Exact Mass
368.0896 (neutral)    Calculate m/z:
FormulaC20H16O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassCoumestan flavonoids [PK1209]
PubChem CID5316096
METABOLOMICS IDFLIE1ANP0004
InChIKeyQYJUEWQOEZPDIA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H16O7/c1-20(2)18(23)16(22)10-6-11-13(7-14(10)27-20)26-19(24)15-9-4-3
-8(21)5-12(9)25-17(11)15/h3-7,16,18,21-23H,1-2H3
SMILESC12OC(C)(C)C(O)C(O)C1=CC1C3OC4=CC(O)=CC=C4C=3C(=O)OC=1C=2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms27Rings5Aromatic Rings3Rotatable Bonds0
 van der Waals
Molecular Volume
300.47Topological Polar
Surface Area
113.50Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP4.31Molar
Refractivity
96.46