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CHEBI:228036 - 4-cadinen-11,13-diol

Default Structure
ChEBI IDCHEBI:228036
ChEBI Name4-cadinen-11,13-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O
Net Charge0
Average Mass236.399
Monoisotopic Mass236.21402
SMILESCCC(C)(O)[C@H]1CC[C@H](C)[C@H]2CCC(C)=C[C@H]21
InChIInChI=1S/C16H28O/c1-5-16(4,17)15-9-7-12(3)13-8-6-11(2)10-14(13)15/h10,12-15,17H,5-9H2,1-4H3/t12-,13+,14+,15-,16?/m0/s1
InChIKeyPETFBVSHDPKCIW-JSKHOMAGSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - DOI (10.1016/j.phytol.2019.05.001)
ChEBI Ontology
Outgoing Relation(s)
4-cadinen-11,13-diol (CHEBI:228036) 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]butan-2-ol