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

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ChEBI Name 5(1->10)-Abeo-1,12-patchoulanediol
ChEBI ID CHEBI:184182
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H26O2
Net Charge 0
Average Mass 238.371
Monoisotopic Mass 238.19328
InChI InChI=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
InChIKey RTSORXBIZDRAMP-ZGVRZNAHSA-N
SMILES OC12[C@@]3([C@@](C[C@](C1(C)C)(CC3)[H])([C@H](CC2)CO)[H])C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing 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