CHEBI:193437 - Isotrinerviol

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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 Isotrinerviol
ChEBI ID CHEBI:193437
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O
Net Charge 0
Average Mass 288.475
Monoisotopic Mass 288.24532
InChI InChI=1S/C20H32O/c1-13-6-5-7-14(2)16-10-11-20(4)12-18(21)17(9-8-13)15(3)19(16)20/h7,13,16,18-19,21H,5-6,8-12H2,1-4H3/b14-7-/t13-,16-,18-,19+,20+/m0/s1
InChIKey PJNOSQMCFHDMLC-MOEFAXRESA-N
SMILES O[C@H]1C[C@@]2([C@]3([C@@](CC2)(C(=CCC[C@@H](CCC1=C3C)C)C)[H])[H])C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Isotrinerviol (CHEBI:193437) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2Z,6S,10S,12R,15R)-2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-dien-10-ol
Manual Xref Database
113385742 ChemSpider
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