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CHEBI:221527 - Clifednamide B

Default Structure
ChEBI IDCHEBI:221527
ChEBI NameClifednamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O6
Net Charge0
Average Mass508.615
Monoisotopic Mass508.25734
SMILESCC(=O)[C@H]1[C@@H]2C=C[C@@H]3[C@H]4CC=CC(=O)NCCC(O)[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/C29H36N2O6/c1-14-12-20-19(25(14)15(2)32)8-7-18-17-4-3-5-24(35)30-11-10-23(34)27-28(36)26(29(37)31-27)22(33)9-6-16(17)13-21(18)20/h3,5-9,14,16-21,23,25,27,33-34H,4,10-13H2,1-2H3,(H,30,35)(H,31,37)/t14-,16-,17+,18-,19-,20+,21+,23?,25+,27+/m1/s1
InChIKeyKVLLQKCXHRVZME-OSTRDOCISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (20843016)
ChEBI Ontology
Outgoing Relation(s)
Clifednamide B (CHEBI:221527) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(5S,7R,8R,10R,11R,12R,15R,16S,25S)-11-acetyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione