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CHEBI:219598 - Saframycin B

ChEBI IDCHEBI:219598
ChEBI NameSaframycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31N3O8
Net Charge0
Average Mass537.569
Monoisotopic Mass537.21111
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](C2)N1C
InChIInChI=1S/C28H31N3O8/c1-11-22(33)15-7-14-10-31-17(21(30(14)4)20(15)25(36)27(11)39-6)8-16-19(18(31)9-29-28(37)13(3)32)24(35)26(38-5)12(2)23(16)34/h14,17-18,21H,7-10H2,1-6H3,(H,29,37)/t14-,17+,18+,21-/m1/s1
InChIKeyKOHPLTGVBZMVDW-BBTHKVSRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (591455)
ChEBI Ontology
Outgoing Relation(s)
Saframycin B (CHEBI:219598) is a isoquinolines (CHEBI:24922)
IUPAC Name 
N-[[(1S,2S,10R,13R)-7,18-dimethoxy-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]-2-oxopropanamide
Manual XrefsDatabases
21254103ChemSpider