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CHEBI:9645 - Toxol

ChEBI IDCHEBI:9645
ChEBI NameToxol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H14O3
Net Charge0
Average Mass218.252
Monoisotopic Mass218.09429
SMILESC=C(C)[C@@H]1Oc2ccc(C(C)=O)cc2[C@H]1O
InChIInChI=1S/C13H14O3/c1-7(2)13-12(15)10-6-9(8(3)14)4-5-11(10)16-13/h4-6,12-13,15H,1H2,2-3H3/t12-,13+/m1/s1
InChIKeyKWZYQHQNOWRQRG-OLZOCXBDSA-N
ChEBI Ontology
Outgoing Relation(s)
Toxol (CHEBI:9645) is a benzofurans (CHEBI:35259)
Synonym  Source
ToxolKEGG COMPOUND
Manual XrefsDatabases
C08979KEGG COMPOUND
C00002410KNApSAcK
Registry NumbersSources
CAS:26296-56-0KEGG COMPOUND