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CHEBI:220040 - Peaurantiogriseol D

ChEBI IDCHEBI:220040
ChEBI NamePeaurantiogriseol D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H26O4
Net Charge0
Average Mass282.380
Monoisotopic Mass282.18311
SMILESC[C@]1(O)CC[C@H]2[C@@H](C=C[C@@](C)(O)[C@]2(C)C(=O)CCO)C1
InChIInChI=1S/C16H26O4/c1-14(19)7-5-12-11(10-14)4-8-15(2,20)16(12,3)13(18)6-9-17/h4,8,11-12,17,19-20H,5-7,9-10H2,1-3H3/t11-,12-,14-,15+,16-/m0/s1
InChIKeyLWCQKJINOCQTMW-AMSCCUFHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (26473887)
ChEBI Ontology
Outgoing Relation(s)
Peaurantiogriseol D (CHEBI:220040) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
1-[(1R,2R,4aR,6S,8aS)-2,6-dihydroxy-1,2,6-trimethyl-5,7,8,8a-tetrahydro-4aH-naphthalen-1-yl]-3-hydroxypropan-1-one
Manual XrefsDatabases
40256677ChemSpider