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CHEBI:9643 - Toxicarol

ChEBI IDCHEBI:9643
ChEBI NameToxicarol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H22O7
Net Charge0
Average Mass410.422
Monoisotopic Mass410.13655
SMILES[H][C@@]12COc3cc(OC)c(OC)cc3[C@]1([H])C(=O)c1c(O)cc3c(c1O2)C=CC(C)(C)O3
InChIInChI=1S/C23H22O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,18-19,24H,10H2,1-4H3/t18-,19+/m1/s1
InChIKeyJLTNCZQNGBLBGO-MOPGFXCFSA-N
ChEBI Ontology
Outgoing Relation(s)
Toxicarol (CHEBI:9643) is a isoflavanones (CHEBI:38741)
Synonyms  Source
ToxicarolKEGG COMPOUND
alpha-ToxicarolKEGG COMPOUND
Manual XrefsDatabases
C10537KEGG COMPOUND
C00002580KNApSAcK
Registry NumbersSources
CAS:82-09-7KEGG COMPOUND