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CHEBI:209798 - Peaurantiogriseol A

ChEBI IDCHEBI:209798
ChEBI NamePeaurantiogriseol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILESC[C@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@]2(C)C(=O)CCO)[C@@H]1O
InChIInChI=1S/C16H26O3/c1-10-4-7-13-12(15(10)19)6-5-11(2)16(13,3)14(18)8-9-17/h5-6,10-13,15,17,19H,4,7-9H2,1-3H3/t10-,11-,12+,13-,15+,16-/m0/s1
InChIKeyQICPCLSKODQDII-RNUZFXTQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26473887)
ChEBI Ontology
Outgoing Relation(s)
Peaurantiogriseol A (CHEBI:209798) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1S,2S,4aR,5R,6S,8aS)-5-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
40256674ChemSpider