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CHEBI:225131 - Paecilosetin C

ChEBI IDCHEBI:225131
ChEBI NamePaecilosetin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H29NO3
Net Charge0
Average Mass355.478
Monoisotopic Mass355.21474
SMILESCC=C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(=O)C1=C(O)/C(=C/C)NC1=O
InChIInChI=1S/C22H29NO3/c1-5-7-15-10-9-14-12-13(3)8-11-16(14)22(15,4)20(25)18-19(24)17(6-2)23-21(18)26/h5-7,9-10,13-16,24H,8,11-12H2,1-4H3,(H,23,26)/b7-5?,17-6-/t13-,14-,15-,16-,22-/m1/s1
InChIKeyYJBNSXWBJAHNMO-MEODPQOXSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (33021377)
ChEBI Ontology
Outgoing Relation(s)
Paecilosetin C (CHEBI:225131) is a pyrroline (CHEBI:23763)
IUPAC Name 
(5Z)-3-[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carbonyl]-5-ethylidene-4-hydroxypyrrol-2-one