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CHEBI:224896 - Clifednamide D

ChEBI IDCHEBI:224896
ChEBI NameClifednamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O7
Net Charge0
Average Mass524.614
Monoisotopic Mass524.25225
SMILESCC(=O)[C@H]1[C@@H]2C=C[C@@H]3[C@@H](C/C=C\C(N)=O)[C@H](/C=C/C(O)=C4C(=O)N[C@@H](CCC(=O)O)C4=O)C[C@@H]3[C@H]2C[C@H]1C
InChIInChI=1S/C29H36N2O7/c1-14-12-20-19(26(14)15(2)32)8-7-18-17(4-3-5-24(30)34)16(13-21(18)20)6-10-23(33)27-28(37)22(31-29(27)38)9-11-25(35)36/h3,5-8,10,14,16-22,26,33H,4,9,11-13H2,1-2H3,(H2,30,34)(H,31,38)(H,35,36)/b5-3-,10-6+,27-23?/t14-,16-,17+,18-,19-,20+,21+,22+,26+/m1/s1
InChIKeyMHISYGKJUDXSQZ-ABKVRGIESA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (32915576)
ChEBI Ontology
Outgoing Relation(s)
Clifednamide D (CHEBI:224896) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
3-[(2S)-4-[(E)-3-[(2S,3S,3aR,5aR,6R,7R,8aR,8bR)-6-acetyl-3-[(Z)-4-amino-4-oxobut-2-enyl]-7-methyl-1,2,3,3a,5a,6,7,8,8a,8b-decahydro-as-indacen-2-yl]-1-hydroxyprop-2-enylidene]-3,5-dioxopyrrolidin-2-yl]propanoic acid