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CHEBI:209606 - Pericoannosin E

ChEBI IDCHEBI:209606
ChEBI NamePericoannosin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO3
Net Charge0
Average Mass359.510
Monoisotopic Mass359.24604
SMILESCC1=CC[C@@H]2[C@@H](C(=O)[C@@]3(O)C[C@H](CC(C)C)NC3=O)[C@@H](C)C(C)=C[C@H]2C1
InChIInChI=1S/C22H33NO3/c1-12(2)8-17-11-22(26,21(25)23-17)20(24)19-15(5)14(4)10-16-9-13(3)6-7-18(16)19/h6,10,12,15-19,26H,7-9,11H2,1-5H3,(H,23,25)/t15-,16+,17-,18-,19-,22-/m0/s1
InChIKeyWGUBLCYMEGYPMR-AUCYZEHXSA-N
Species of MetaboliteComponentSourceComments
Periconia (ncbitaxon:97971) - PubMed (30802068)
ChEBI Ontology
Outgoing Relation(s)
Pericoannosin E (CHEBI:209606) is a pyrrolidin-2-ones (CHEBI:74223)
IUPAC Name 
(3S,5S)-3-[(1R,2R,4aS,8aS)-2,3,6-trimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-3-hydroxy-5-(2-methylpropyl)pyrrolidin-2-one