CHEBI:187311 - Isotrinervidiol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Isotrinervidiol
ChEBI ID CHEBI:187311
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/c1-12-6-5-7-13(2)15-10-11-20(4)17(15)14(3)16(9-8-12)18(21)19(20)22/h7,12,15,17-19,21-22H,5-6,8-11H2,1-4H3/b13-7-/t12-,15-,17+,18+,19-,20-/m0/s1
InChIKey FXMHPHRSFCOEHI-ZLBDFBLOSA-N
SMILES O[C@@H]1[C@@]2([C@]3([C@@](CC2)(C(=CCC[C@@H](CCC(=C3C)[C@H]1O)C)C)[H])[H])C
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 Isotrinervidiol (CHEBI:187311) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,2Z,6S,10R,11R,12S,15S)-2,6,12,16-tetramethyltricyclo[7.5.2.012,15]hexadeca-2,9(16)-diene-10,11-diol
Manual Xref Database
9954507 ChemSpider
View more database links