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CHEBI:227552 - (1beta,4beta,4abeta,7alpha,8aalpha)-4,8a-dimethyloctahydronaphthalene-1,4a,7(2H)-triol

ChEBI IDCHEBI:227552
ChEBI Name(1beta,4beta,4abeta,7alpha,8aalpha)-4,8a-dimethyloctahydronaphthalene-1,4a,7(2H)-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22O3
Net Charge0
Average Mass214.305
Monoisotopic Mass214.15689
SMILESC[C@H]1CC[C@@H](O)[C@@]2(C)C[C@H](O)CC[C@]12O
InChIInChI=1S/C12H22O3/c1-8-3-4-10(14)11(2)7-9(13)5-6-12(8,11)15/h8-10,13-15H,3-7H2,1-2H3/t8-,9+,10+,11+,12-/m0/s1
InChIKeyTVBXZYIQQHPCFC-KQSJRHEJSA-N
Species of MetaboliteComponentSourceComments
Kitasatospora albolonga (ncbitaxon:68173) - PubMed (26933756)
ChEBI Ontology
Outgoing Relation(s)
(1beta,4beta,4abeta,7alpha,8aalpha)-4,8a-dimethyloctahydronaphthalene-1,4a,7(2H)-triol (CHEBI:227552) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,4S,4aS,7R,8aR)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene-1,4a,7-triol
Manual XrefsDatabases
78438885ChemSpider