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CHEBI:221519 - Clifednamide A

ChEBI IDCHEBI:221519
ChEBI NameClifednamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O5
Net Charge0
Average Mass492.616
Monoisotopic Mass492.26242
SMILESCC(=O)[C@H]1[C@@H]2C=C[C@@H]3[C@H]4CC=CC(=O)NCCC[C@@H]5NC(=O)C(=C(O)C=C[C@@H]4C[C@@H]3[C@H]2C[C@H]1C)C5=O
InChIInChI=1S/C29H36N2O5/c1-15-13-21-20(26(15)16(2)32)10-9-19-18-5-3-7-25(34)30-12-4-6-23-28(35)27(29(36)31-23)24(33)11-8-17(18)14-22(19)21/h3,7-11,15,17-23,26,33H,4-6,12-14H2,1-2H3,(H,30,34)(H,31,36)/t15-,17-,18+,19-,20-,21+,22+,23+,26+/m1/s1
InChIKeyRKXLUXSTSOYJOS-IKPVJZKGSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (20843016)
ChEBI Ontology
Outgoing Relation(s)
Clifednamide A (CHEBI:221519) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(5S,7R,8R,10R,11R,12R,15R,16S,25S)-11-acetyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione