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CHEBI:224254 - 3-oxogeosmin

ChEBI IDCHEBI:224254
ChEBI Name3-oxogeosmin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20O2
Net Charge0
Average Mass196.290
Monoisotopic Mass196.14633
SMILESC[C@H]1C(=O)CC[C@@]2(C)CCCC[C@]12O
InChIInChI=1S/C12H20O2/c1-9-10(13)5-8-11(2)6-3-4-7-12(9,11)14/h9,14H,3-8H2,1-2H3/t9-,11+,12-/m0/s1
InChIKeyQLBJXXLQVSEASQ-WCQGTBRESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32558565)
ChEBI Ontology
Outgoing Relation(s)
3-oxogeosmin (CHEBI:224254) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(1R,4aR,8aS)-8a-hydroxy-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
Manual XrefsDatabases
10308790ChemSpider