CHEBI:193342 - (-)-Isoamijiol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (-)-Isoamijiol
ChEBI ID CHEBI:193342
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O2
Net Charge 0
Average Mass 304.474
Monoisotopic Mass 304.24023
InChI InChI=1S/C20H32O2/c1-13(2)15-6-9-18(4)12-20(22)14(3)17(21)8-11-19(20,5)10-7-16(15)18/h13,17,21-22H,3,6-12H2,1-2,4-5H3/t17-,18+,19+,20-/m0/s1
InChIKey YEHZXAFZUPRJBB-NMLBUPMWSA-N
SMILES O[C@@]12[C@](CCC=3[C@@](C1)(CCC3C(C)C)C)(CC[C@H](O)C2=C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing (-)-Isoamijiol (CHEBI:193342) is a diterpenoid (CHEBI:23849)
IUPAC Name
(5aR,8S,9aR,10aR)-5a,10a-dimethyl-9-methylidene-3-propan-2-yl-1,2,4,5,6,7,8,10-octahydrobenzo[]azulene-8,9a-diol
Manual Xref Database
10472558 ChemSpider
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