input word = C00017289

Metabolite InformationStructural formula
Name Betaclamycin B
Formula C40H49NO15
Mw 783.3102199
CAS RN 143413-62-1
C_ID C00017289 ,
InChIKey GOYNNCPGHOBFCK-UHFFFAOYNA-N
InChICode InChI=1S/C40H49NO15/c1-7-40(49)14-24(28-31(38(40)48)35(47)29-30(34(28)46)33(45)27-18(32(29)44)9-8-10-20(27)42)54-25-11-19(41(5)6)36(16(3)50-25)55-26-13-22-37(17(4)51-26)56-39-23(53-22)12-21(43)15(2)52-39/h8-10,15-17,19,22-26,36-39,42,46-49H,7,11-14H2,1-6H3/t15-,16-,17-,19-,22-,23+,24-,25-,26+,36-,37+,38-,39+,40+/m1/s1
SMILES C1[C@@]([C@@H](c2c([C@@H]1O[C@@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@@H]3[C@H]([C@H](O1)C)O[C@H]1[C@@H](O3)CC(=O)[C@H](O1)C)N(C)C)c(c1c(c2O)C(=O)c2c(C1=O)c(ccc2)O)O)O)(O)CC
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus 2HK-0134 Ref.
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