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CHEBI:219607 - Saframycin D

ChEBI IDCHEBI:219607
ChEBI NameSaframycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31N3O9
Net Charge0
Average Mass553.568
Monoisotopic Mass553.20603
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)C(C)=O)N1C[C@H]3C(=O)c4c(O)c(C)c(OC)c(O)c4[C@@H]([C@@H]1C2)N3C
InChIInChI=1S/C28H31N3O9/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/h14-16,20,34,37H,7-9H2,1-6H3,(H,29,38)/t14-,15-,16-,20+/m0/s1
InChIKeyJRGSNFZUTBSLSG-ZKNHNOBHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (591455)
ChEBI Ontology
Outgoing Relation(s)
Saframycin D (CHEBI:219607) is a benzazocine (CHEBI:39307)
IUPAC Name 
N-[[(1S,2S,10R,13S)-16,19-dihydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,14-trioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]-2-oxopropanamide
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150142ChemSpider