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CHEBI:224919 - Clifednamide H

ChEBI IDCHEBI:224919
ChEBI NameClifednamide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O6
Net Charge0
Average Mass508.615
Monoisotopic Mass508.25734
SMILESCC[C@H]1[C@@H]2C=C[C@H](/C=C/C=C/C(N)=O)[C@H](/C=C/C=C/C(O)=C3C(=O)N[C@@H](CCC(=O)O)C3=O)[C@H]2C[C@H]1C
InChIInChI=1S/C29H36N2O6/c1-3-19-17(2)16-22-20(18(12-13-21(19)22)8-4-7-11-25(30)33)9-5-6-10-24(32)27-28(36)23(31-29(27)37)14-15-26(34)35/h4-13,17-23,32H,3,14-16H2,1-2H3,(H2,30,33)(H,31,37)(H,34,35)/b8-4+,9-5+,10-6+,11-7+,27-24?/t17-,18+,19-,20+,21+,22-,23+/m1/s1
InChIKeyDWASZPFAOTYUDM-LOMLAVLUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32915576)
ChEBI Ontology
Outgoing Relation(s)
Clifednamide H (CHEBI:224919) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
3-[(2S)-4-[(2E,4E)-5-[(1R,2R,3aS,4R,5S,7aS)-5-[(1E,3E)-5-amino-5-oxopenta-1,3-dienyl]-1-ethyl-2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]-1-hydroxypenta-2,4-dienylidene]-3,5-dioxopyrrolidin-2-yl]propanoic acid