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CHEBI:184182 - 5(1->10)-Abeo-1,12-patchoulanediol

ChEBI IDCHEBI:184182
ChEBI Name5(1->10)-Abeo-1,12-patchoulanediol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O2
Net Charge0
Average Mass238.371
Monoisotopic Mass238.19328
SMILES[H][C@@]12CC[C@]3(C)C(O)(CC[C@H](CO)[C@]3([H])C1)C2(C)C
InChIInChI=1S/C15H26O2/c1-13(2)11-5-6-14(3)12(8-11)10(9-16)4-7-15(13,14)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11-,12+,14+,15?/m1/s1
InChIKeyRTSORXBIZDRAMP-ZGVRZNAHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
5(1->10)-Abeo-1,12-patchoulanediol (CHEBI:184182) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,6S,7S,8S)-6-(hydroxymethyl)-2,2,8-trimethyltricyclo[5.3.1.03,8]undecan-3-ol