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CHEBI:189141 - Peaurantiogriseol F

ChEBI IDCHEBI:189141
ChEBI NamePeaurantiogriseol F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILES[H][C@]12CC[C@@H](CO)C[C@@]1([H])C=C[C@@](C)(O)[C@@]2(C)C(=O)CCO
InChIInChI=1S/C16H26O4/c1-15(20)7-5-12-9-11(10-18)3-4-13(12)16(15,2)14(19)6-8-17/h5,7,11-13,17-18,20H,3-4,6,8-10H2,1-2H3/t11-,12-,13+,15-,16-/m1/s1
InChIKeyOUZGQMNHNDSUKM-CNRIWFPOSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Peaurantiogriseol F (CHEBI:189141) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1S,2R,4aS,6R,8aS)-2-hydroxy-6-(hydroxymethyl)-1,2-dimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
40256679ChemSpider