input word = C00018460

Metabolite InformationStructural formula
Name Sulfurmycin E
Formula C43H55NO16
Mw 841.35208472
CAS RN 83753-76-8
C_ID C00018460 ,
InChIKey ONRDFNTYASFICP-JHPUZVEZNA-N
InChICode InChI=1S/C43H55NO16/c1-18(45)16-43(53)17-29(34-23(36(43)42(52)54-7)13-24-35(39(34)51)38(50)33-22(37(24)49)9-8-10-27(33)47)58-31-14-25(44(5)6)40(20(3)56-31)60-32-15-28(48)41(21(4)57-32)59-30-12-11-26(46)19(2)55-30/h8-10,13,19-21,25-26,28-32,36,40-41,46-48,51,53H,11-12,14-17H2,1-7H3/t19-,20-,21-,25-,26+,28-,29-,30-,31+,32-,36+,40-,41+,43-/m0/s1
SMILES C1[C@@]([C@H](c2c([C@H]1O[C@H]1O[C@H]([C@@H]([C@H](C1)N(C)C)O[C@@H]1O[C@H]([C@H]([C@H](C1)O)O[C@@H]1O[C@H]([C@@H](CC1)O)C)C)C)c(c1c(c2)C(=O)c2c(C1=O)c(ccc2)O)O)C(=O)OC)(O)CC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus OBB-111-610 Ref.
zoom in