input word = C00016863

Metabolite InformationStructural formula
Name Mureidomycin E
Formula C39H48N8O12S
Mw 852.31123979
CAS RN 126049-02-3
C_ID C00016863 ,
InChIKey RFAFKGRDICXXEY-UHFFFAOYNA-N
InChICode InChI=1S/C39H48N8O12S/c1-20(46(2)35(54)27-16-22-7-5-9-29(49)25(22)19-40-27)32(34(53)41-18-24-17-30(50)36(59-24)47-12-10-31(51)44-39(47)58)45-33(52)26(11-13-60-3)42-38(57)43-28(37(55)56)15-21-6-4-8-23(48)14-21/h4-10,12,14,18,20,26-28,30,32,36,40,48-50H,11,13,15-17,19H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b24-18-/t20-,26+,27+,28+,30-,32-,36-/m0/s1
SMILES c12c(CN[C@H](C1)C(=O)N([C@H]([C@@H](C(=O)N/C=C/1\O[C@@H]([C@H](C1)O)n1c(=O)[nH]c(=O)cc1)NC(=O)[C@@H](CCSC)NC(=O)N[C@@H](C(=O)O)Cc1cc(ccc1)O)C)C)c(ccc2)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces flavidovirens SANK 60486 Ref.
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