CHEBI:184991 - 1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol

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ChEBI Name 1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol
ChEBI ID CHEBI:184991
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O3
Net Charge 0
Average Mass 320.473
Monoisotopic Mass 320.23514
InChI InChI=1S/C20H32O3/c1-12-5-4-6-13(2)16-10-18(23)20(11-21)17(22)9-15(8-7-12)14(3)19(16)20/h12,16-19,21-23H,2,4-11H2,1,3H3/t12-,16-,17-,18+,19+,20-/m0/s1
InChIKey CQBMUHFERZKRSJ-JHBMXPPKSA-N
SMILES O[C@H]1[C@]2([C@]3([C@@](C1)(C(CCC[C@@H](CCC(=C3C)C[C@@H]2O)C)=C)[H])[H])CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 1(15),8(19)-Trinervitadiene-3alpha,5alpha,18-triol (CHEBI:184991) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,6S,11S,12S,13R,15S)-12-(hydroxymethyl)-6,16-dimethyl-2-methylidenetricyclo[7.5.2.012,15]hexadec-9(16)-ene-11,13-diol
Manual Xref Database
8059236 ChemSpider
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