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CHEBI:216350 - Peyronellin B

ChEBI IDCHEBI:216350
ChEBI NamePeyronellin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38O6
Net Charge0
Average Mass470.606
Monoisotopic Mass470.26684
SMILESCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C[C@@]12O[C@@H]1[C@@H](O)C(Cc1c(O)cc(C)oc1=O)=C[C@H]2O
InChIInChI=1S/C28H38O6/c1-15-7-8-21-26(3,4)9-6-10-27(21,5)19(15)14-28-22(30)13-17(23(31)24(28)34-28)12-18-20(29)11-16(2)33-25(18)32/h7,11,13,19,21-24,29-31H,6,8-10,12,14H2,1-5H3/t19-,21-,22+,23-,24+,27+,28-/m0/s1
InChIKeyKMTGZPFWHXUAFC-PVVZZRODSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (27135759)
ChEBI Ontology
Outgoing Relation(s)
Peyronellin B (CHEBI:216350) is a pyranone (CHEBI:37963)
IUPAC Name 
3-[[(1R,2S,5R,6S)-6-[[(1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,5-dihydroxy-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl]-4-hydroxy-6-methylpyran-2-one
Manual XrefsDatabases
78438636ChemSpider