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CHEBI:207196 - Peaurantiogriseol C

ChEBI IDCHEBI:207196
ChEBI NamePeaurantiogriseol C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILESC[C@H]1C=C[C@H]2C[C@@](C)(O)CC[C@@H]2[C@@]1(C)C(=O)CCO
InChIInChI=1S/C16H26O3/c1-11-4-5-12-10-15(2,19)8-6-13(12)16(11,3)14(18)7-9-17/h4-5,11-13,17,19H,6-10H2,1-3H3/t11-,12-,13-,15-,16-/m0/s1
InChIKeyLUIMBFWYYYLNKF-IICXDKKESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26473887)
ChEBI Ontology
Outgoing Relation(s)
Peaurantiogriseol C (CHEBI:207196) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1S,2S,4aR,6S,8aS)-6-hydroxy-1,2,6-trimethyl-2,4a,5,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
40256676ChemSpider