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CHEBI:201646 - Albrassitriol

ChEBI IDCHEBI:201646
ChEBI NameAlbrassitriol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O3
Net Charge0
Average Mass254.370
Monoisotopic Mass254.18819
SMILESCC1=CC(O)C2C(C)(C)CCCC2(C)C1(O)CO
InChIInChI=1S/C15H26O3/c1-10-8-11(17)12-13(2,3)6-5-7-14(12,4)15(10,18)9-16/h8,11-12,16-18H,5-7,9H2,1-4H3
InChIKeyRWPFZPBMMIWKKY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Albrassitriol (CHEBI:201646) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1S,4R,4aS,8aS)-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalene-1,4-diol
Manual XrefsDatabases
22842434ChemSpider