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CHEBI:199252 - JBIR-102

ChEBI IDCHEBI:199252
ChEBI NameJBIR-102
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33NO4
Net Charge0
Average Mass375.509
Monoisotopic Mass375.24096
SMILESCC(/C=C/C1CC1)=C\[C@@H]1[C@@H](OC(=O)CC(C)C)[C@](C)(O)[C@@H]2[C@H]3O[C@H]3CCN12
InChIInChI=1S/C22H33NO4/c1-13(2)11-18(24)27-21-16(12-14(3)5-6-15-7-8-15)23-10-9-17-19(26-17)20(23)22(21,4)25/h5-6,12-13,15-17,19-21,25H,7-11H2,1-4H3/b6-5+,14-12+/t16-,17+,19+,20+,21-,22-/m1/s1
InChIKeyFVENWVCWGJLLSW-ZLKLBDLASA-N
Species of MetaboliteComponentSourceComments
Saccharopolyspora (ncbitaxon:1835) - PubMed (22045419)
ChEBI Ontology
Outgoing Relation(s)
JBIR-102 (CHEBI:199252) is a indolizines (CHEBI:38485)
IUPAC Name 
[(1aS,5R,6R,7R,7aS,7bR)-5-[(1E,3E)-4-cyclopropyl-2-methylbuta-1,3-dienyl]-7-hydroxy-7-methyl-2,3,5,6,7a,7b-hexahydro-1aH-oxireno[2,3-g]indolizin-6-yl] 3-methylbutanoate
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