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CHEBI:225118 - 6'-epi-paecilosetin A

ChEBI IDCHEBI:225118
ChEBI Name6'-epi-paecilosetin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33NO4
Net Charge0
Average Mass387.520
Monoisotopic Mass387.24096
SMILESCC=C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@]1(C)C(O)=C1C(=O)N[C@@](C)([C@@H](C)O)C1=O
InChIInChI=1S/C23H33NO4/c1-6-7-16-10-9-15-12-13(2)8-11-17(15)22(16,4)19(26)18-20(27)23(5,14(3)25)24-21(18)28/h6-7,9-10,13-17,25-26H,8,11-12H2,1-5H3,(H,24,28)/t13-,14-,15-,16-,17-,22-,23+/m1/s1
InChIKeyKAXJQWJPQLYJSS-PSJWJEJKSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (33021377)
ChEBI Ontology
Outgoing Relation(s)
6'-epi-paecilosetin A (CHEBI:225118) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1R)-1-hydroxyethyl]-5-methylpyrrolidine-2,4-dione