input word = C00018335

Metabolite InformationStructural formula
Name Sulfurmycin B
Formula C43H51NO16
Mw 837.32078459
CAS RN 78193-30-3
C_ID C00018335 ,
InChIKey DONDQYGRHMLYMF-RCABVKEXNA-N
InChICode InChI=1S/C43H51NO16/c1-17(45)15-43(52)16-29(33-22(35(43)41(51)53-7)11-23-34(38(33)50)37(49)32-21(36(23)48)9-8-10-25(32)46)58-30-12-24(44(5)6)39(19(3)54-30)59-31-14-27-40(20(4)55-31)60-42-28(57-27)13-26(47)18(2)56-42/h8-11,18-20,24,27-31,35,39-40,42,46,50,52H,12-16H2,1-7H3/t18-,19+,20-,24+,27-,28+,29+,30-,31-,35+,39-,40-,42-,43+/m0/s1
SMILES c1ccc2c(c1O)C(=O)c1c(C2=O)cc2c(c1O)[C@@H](C[C@]([C@H]2C(=O)OC)(O)CC(=O)C)O[C@@H]1O[C@@H]([C@H](O[C@H]2C[C@H]3[C@H]([C@@H](O2)C)O[C@H]2[C@H](O3)CC(=O)[C@@H](O2)C)[C@@H](C1)N(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) Secologanin
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces galilaeus OBB-111 Ref.
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OrganismStreptomyces galilaeus OBB-111
ReferenceFujiwara,J. Antibiotics,34,(1981),608