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CHEBI:219602 - Saframycin C

ChEBI IDCHEBI:219602
ChEBI NameSaframycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H33N3O9
Net Charge0
Average Mass567.595
Monoisotopic Mass567.22168
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@@H]1[C@@H]3CC4=C(C(=O)C(OC)=C(C)C4=O)[C@H](CNC(=O)C(C)=O)N3C[C@H]([C@H]2OC)N1C
InChIInChI=1S/C29H33N3O9/c1-11-22(34)14-8-15-21-19-20(23(35)12(2)27(40-6)25(19)37)28(41-7)17(31(21)4)10-32(15)16(9-30-29(38)13(3)33)18(14)24(36)26(11)39-5/h15-17,21,28H,8-10H2,1-7H3,(H,30,38)/t15-,16-,17+,21-,28+/m0/s1
InChIKeyJIJFDUYXCLTCFT-FZLBTGRLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (591455)
ChEBI Ontology
Outgoing Relation(s)
Saframycin C (CHEBI:219602) is a isoquinolines (CHEBI:24922)
IUPAC Name 
2-oxo-N-[[(1R,2S,10R,13R,14S)-7,14,18-trimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl]propanamide
Manual XrefsDatabases
10379111ChemSpider