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CHEBI:219916 - 12-Hydroxy-6-epi-albrabetaitriol

ChEBI IDCHEBI:219916
ChEBI Name12-Hydroxy-6-epi-albrabetaitriol
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-/m1/s1
InChIKeyHUZKUSWQRONLOJ-PAPYEOQZSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (8698644)
ChEBI Ontology
Outgoing Relation(s)
12-Hydroxy-6-epi-albrabetaitriol (CHEBI:219916) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,4S,4aS,8aS)-3,4-bis(hydroxymethyl)-4a,8,8-trimethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
Manual XrefsDatabases
8763503ChemSpider