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CHEBI:219614 - Saframycin E

ChEBI IDCHEBI:219614
ChEBI NameSaframycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N3O9
Net Charge0
Average Mass555.584
Monoisotopic Mass555.22168
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)C(C)=O)N1C[C@@H]3[C@@H](O)c4c(O)c(C)c(OC)c(O)c4[C@H]([C@@H]1C2)N3C
InChIInChI=1S/C28H33N3O9/c1-10-21(33)13-7-14-20-18-19(22(34)11(2)27(40-6)25(18)37)23(35)16(30(20)4)9-31(14)15(8-29-28(38)12(3)32)17(13)24(36)26(10)39-5/h14-16,20,23,34-35,37H,7-9H2,1-6H3,(H,29,38)/t14-,15-,16+,20-,23+/m0/s1
InChIKeyAPNOKSAARSYAPV-QOTHJRBRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (591455)
ChEBI Ontology
Outgoing Relation(s)
Saframycin E (CHEBI:219614) is a benzazocine (CHEBI:39307)
IUPAC Name 
2-oxo-N-[[(1R,2S,10R,13R,14S)-14,16,19-trihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
Manual XrefsDatabases
111460ChemSpider