input word = C00018599

Metabolite InformationStructural formula
Name Betaclamycin S
CG 18B
CG 21B
Formula C34H43NO13
Mw 673.27344047
CAS RN 86976-56-9
C_ID C00018599 ,
InChIKey GLHVPXYMPHPMMY-GPNYIBKANA-N
InChICode InChI=1S/C34H43NO13/c1-6-34(44)12-19(47-20-10-16(35(4)5)32(14(3)46-20)48-21-11-18(37)27(38)13(2)45-21)23-26(33(34)43)31(42)24-25(30(23)41)29(40)22-15(28(24)39)8-7-9-17(22)36/h7-9,13-14,16,18-21,27,32-33,36-38,41-44H,6,10-12H2,1-5H3/t13-,14-,16-,18-,19-,20+,21+,27+,32-,33+,34+/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)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2)O)O)O)(CC)O
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus KE303 Ref.
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