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CHEBI:212879 - Peaurantiogriseol B

ChEBI IDCHEBI:212879
ChEBI NamePeaurantiogriseol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O3
Net Charge0
Average Mass266.381
Monoisotopic Mass266.18819
SMILESC[C@H]1C=C[C@H]2C[C@@H](CO)CC[C@@H]2[C@@]1(C)C(=O)CCO
InChIInChI=1S/C16H26O3/c1-11-3-5-13-9-12(10-18)4-6-14(13)16(11,2)15(19)7-8-17/h3,5,11-14,17-18H,4,6-10H2,1-2H3/t11-,12-,13-,14-,16-/m0/s1
InChIKeyVWJYVZMBUDAVGY-YGJAXBLXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26473887)
ChEBI Ontology
Outgoing Relation(s)
Peaurantiogriseol B (CHEBI:212879) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1S,2S,4aR,6S,8aS)-6-(hydroxymethyl)-1,2-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
40256675ChemSpider