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CHEBI:217341 - Peyronellin C

ChEBI IDCHEBI:217341
ChEBI NamePeyronellin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O3
Net Charge0
Average Mass382.544
Monoisotopic Mass382.25079
SMILESCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1C1=CC(=O)CCC1=C[C@H]2O
InChIInChI=1S/C25H34O3/c1-15-6-9-20-23(2,3)10-5-11-24(20,4)19(15)14-25-21(27)12-16-7-8-17(26)13-18(16)22(25)28-25/h6,12-13,19-22,27H,5,7-11,14H2,1-4H3/t19-,20-,21+,22+,24+,25-/m0/s1
InChIKeySDLRNDWZNXRCGY-OHLCYODYSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (27135759)
ChEBI Ontology
Outgoing Relation(s)
Peyronellin C (CHEBI:217341) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1aS,2R,7bR)-1a-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2-hydroxy-2,4,5,7b-tetrahydronaphtho[1,2-b]oxiren-6-one
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78437578ChemSpider