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CHEBI:10123 - Zoapatanol

ChEBI IDCHEBI:10123
ChEBI NameZoapatanol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H34O4
Net Charge0
Average Mass338.488
Monoisotopic Mass338.24571
SMILESCC(C)=CCC(=O)[C@H](C)CCC[C@]1(C)OC/C(=C/CO)CC[C@H]1O
InChIInChI=1S/C20H34O4/c1-15(2)7-9-18(22)16(3)6-5-12-20(4)19(23)10-8-17(11-13-21)14-24-20/h7,11,16,19,21,23H,5-6,8-10,12-14H2,1-4H3/b17-11+/t16-,19-,20+/m1/s1
InChIKeyXRDHAXIOHKTIGF-JECBFZOVSA-N
ChEBI Ontology
Outgoing Relation(s)
Zoapatanol (CHEBI:10123) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
ZoapatanolKEGG COMPOUND
Manual XrefsDatabases
C09205KEGG COMPOUND
C00003495KNApSAcK
Registry NumbersSources
CAS:71117-51-6KEGG COMPOUND