input word = C00017169

Metabolite InformationStructural formula
Name Epelmycin C
Formula C36H45NO14
Mw 715.28400516
CAS RN 107807-23-8
C_ID C00017169 ,
InChIKey WZIPAGOFYCDCEJ-KKPGEZQENA-N
InChICode InChI=1S/C36H45NO14/c1-7-36(46)13-20(50-21-11-17(37(4)5)34(15(3)49-21)51-22-12-19(39)29(40)14(2)48-22)24-25(28(36)35(45)47-6)33(44)26-27(32(24)43)31(42)23-16(30(26)41)9-8-10-18(23)38/h8-10,14-15,17,19-22,28-29,34,38-40,43-44,46H,7,11-13H2,1-6H3/t14-,15-,17-,19-,20-,21-,22-,28-,29+,34-,36+/m0/s1
SMILES CCC1(O)CC(O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces violaceus Ref.
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