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CHEBI:181165 - Zizanoic acid

ChEBI IDCHEBI:181165
ChEBI NameZizanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILES[H][C@@]12CC[C@]3(C1)[C@@H](C(=O)O)CC[C@]3([H])C(=C)C2(C)C
InChIInChI=1S/C15H22O2/c1-9-11-4-5-12(13(16)17)15(11)7-6-10(8-15)14(9,2)3/h10-12H,1,4-8H2,2-3H3,(H,16,17)/t10-,11-,12-,15-/m1/s1
InChIKeyIJGMVUXEZUEDJR-RTWAVKEYSA-N
ChEBI Ontology
Outgoing Relation(s)
Zizanoic acid (CHEBI:181165) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid
Manual XrefsDatabases
10380725ChemSpider
Registry NumbersSources
CAS:16203-25-1ChemIDplus