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CHEBI:218427 - 12-hydroxyalbrabetaitriol

ChEBI IDCHEBI:218427
ChEBI Name12-hydroxyalbrabetaitriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O4
Net Charge0
Average Mass270.369
Monoisotopic Mass270.18311
SMILESCC1(C)CCC[C@@]2(C)[C@H]1[C@@H](O)C=C(CO)[C@]2(O)CO
InChIInChI=1S/C15H26O4/c1-13(2)5-4-6-14(3)12(13)11(18)7-10(8-16)15(14,19)9-17/h7,11-12,16-19H,4-6,8-9H2,1-3H3/t11-,12-,14-,15+/m0/s1
InChIKeyHUZKUSWQRONLOJ-NZBPQXDJSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies (ncbitaxon:5081) - PubMed (27892687)
ChEBI Ontology
Outgoing Relation(s)
12-hydroxyalbrabetaitriol (CHEBI:218427) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,4S,4aS,8aS)-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
Manual XrefsDatabases
78439428ChemSpider