Structure database (LMSD)

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LM IDLMPK13040005
Common NameChrysophanic acid 9-anthrone
Systematic Name-
Synonyms-
Exact Mass
240.0786 (neutral)    Calculate m/z:
FormulaC15H12O3
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassAnthracenes and phenanthrenes [PK1304]
PubChem CID68111
KEGG IDC10314
CHEBI ID3686
InChIKeyZZBWSNKBZKPGAK-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-1
7H,7H2,1H3
SMILESC12C=C(C=C(O)C=1C(=O)C1=C(C=CC=C1O)C2)C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings3Aromatic Rings2Rotatable Bonds0
 van der Waals
Molecular Volume
217.07Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP2.54Molar
Refractivity
67.19