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CHEBI:220097 - Safracin B

ChEBI IDCHEBI:220097
ChEBI NameSafracin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36N4O7
Net Charge0
Average Mass540.617
Monoisotopic Mass540.25840
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)[C@H](C)N)N1C(O)[C@H]3Cc4cc(C)c(OC)c(O)c4[C@@H]([C@@H]1C2)N3C
InChIInChI=1S/C28H36N4O7/c1-11-7-14-8-17-28(37)32-16(21(31(17)4)19(14)23(34)25(11)38-5)9-15-20(18(32)10-30-27(36)13(3)29)24(35)26(39-6)12(2)22(15)33/h7,13,16-18,21,28,34,37H,8-10,29H2,1-6H3,(H,30,36)/t13-,16-,17+,18-,21+,28?/m0/s1
InChIKeyGKUZBRIJGIGFKC-ZWWMATSUSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas fluorescens (ncbitaxon:294) - PubMed (6643278)
ChEBI Ontology
Outgoing Relation(s)
Safracin B (CHEBI:220097) is a benzazocine (CHEBI:39307)
IUPAC Name 
(2S)-2-amino-N-[[(1S,2S,10R,13R)-12,19-dihydroxy-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
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78438717ChemSpider