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CHEBI:215437 - O-methylalbrabetaitriol

ChEBI IDCHEBI:215437
ChEBI NameO-methylalbrabetaitriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O3
Net Charge0
Average Mass268.397
Monoisotopic Mass268.20384
SMILESCO[C@H]1C=C(C)[C@](O)(CO)[C@@]2(C)CCCC(C)(C)[C@H]12
InChIInChI=1S/C16H28O3/c1-11-9-12(19-5)13-14(2,3)7-6-8-15(13,4)16(11,18)10-17/h9,12-13,17-18H,6-8,10H2,1-5H3/t12-,13-,15-,16+/m0/s1
InChIKeyAZUJYVZGKJZCIK-DARAHFNDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus ustus (ncbitaxon:40382) - PubMed (21628915)
ChEBI Ontology
Outgoing Relation(s)
O-methylalbrabetaitriol (CHEBI:215437) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,4S,4aS,8aS)-1-(hydroxymethyl)-4-methoxy-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-ol
Manual XrefsDatabases
27025546ChemSpider