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CHEBI:228035 - 4-cadinen-11,12-diol

ChEBI IDCHEBI:228035
ChEBI Name4-cadinen-11,12-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILESCC1=C[C@@H]2[C@H](CC1)[C@@H](C)CC[C@@H]2C(C)(O)CO
InChIInChI=1S/C15H26O2/c1-10-4-6-12-11(2)5-7-14(13(12)8-10)15(3,17)9-16/h8,11-14,16-17H,4-7,9H2,1-3H3/t11-,12+,13+,14-,15?/m0/s1
InChIKeyYEEYAKPKPQMIPD-LUNVINKVSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.phytol.2019.05.001)
ChEBI Ontology
Outgoing Relation(s)
4-cadinen-11,12-diol (CHEBI:228035) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(1S,4S,4aR,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propane-1,2-diol
Manual XrefsDatabases
78434490ChemSpider