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CHEBI:209882 - Asperaculane B

ChEBI IDCHEBI:209882
ChEBI NameAsperaculane B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O3
Net Charge0
Average Mass236.311
Monoisotopic Mass236.14124
SMILESCCC1=CC(=O)[C@]2(C)[C@@H]1CC=C(CO)C[C@@H]2O
InChIInChI=1S/C14H20O3/c1-3-10-7-13(17)14(2)11(10)5-4-9(8-15)6-12(14)16/h4,7,11-12,15-16H,3,5-6,8H2,1-2H3/t11-,12+,14-/m1/s1
InChIKeyGFYHPKUYDFUKNL-MBNYWOFBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) - PubMed (25547729)
ChEBI Ontology
Outgoing Relation(s)
Asperaculane B (CHEBI:209882) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3aR,8S,8aR)-3-ethyl-8-hydroxy-6-(hydroxymethyl)-8a-methyl-3a,4,7,8-tetrahydroazulen-1-one
Manual XrefsDatabases
78441093ChemSpider