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CHEBI:225121 - Paecilosetin B

ChEBI IDCHEBI:225121
ChEBI NamePaecilosetin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33NO5
Net Charge0
Average Mass403.519
Monoisotopic Mass403.23587
SMILESCC=C[C@@H]1C=C[C@@H]2C[C@H](CO)CC[C@H]2[C@]1(C)C(O)=C1C(=O)N[C@@](C)([C@H](C)O)C1=O
InChIInChI=1S/C23H33NO5/c1-5-6-16-9-8-15-11-14(12-25)7-10-17(15)22(16,3)19(27)18-20(28)23(4,13(2)26)24-21(18)29/h5-6,8-9,13-17,25-27H,7,10-12H2,1-4H3,(H,24,29)/t13-,14+,15+,16+,17+,22+,23-/m0/s1
InChIKeyNPINLXJFOYKRFO-IOFXENRRSA-N
Species of MetaboliteComponentSourceComments
Isaria (ncbitaxon:72232) - PubMed (33021377)
ChEBI Ontology
Outgoing Relation(s)
Paecilosetin B (CHEBI:225121) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(5S)-3-[[(1S,2R,4aS,6R,8aR)-6-(hydroxymethyl)-1-methyl-2-prop-1-enyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-[(1S)-1-hydroxyethyl]-5-methylpyrrolidine-2,4-dione