input word = C00018268

Metabolite InformationStructural formula
Name Antibiotic TM 531
Leuseramycin
Formula C47H78O13
Mw 850.54424258
CAS RN 73537-10-7
C_ID C00018268 ,
InChIKey ALQNAINCHNBUOD-UHFFFAOYNA-N
InChICode InChI=1S/C47H78O13/c1-24(40(49)25(2)19-28(5)43(50)51)18-26(3)41-31(8)34(48)23-46(59-41)17-16-44(11,60-46)38-22-36(55-39-15-14-35(53-13)33(10)54-39)32(9)47(57-38)30(7)21-37(56-47)42-27(4)20-29(6)45(12,52)58-42/h18,25-39,41-42,48,52H,14-17,19-23H2,1-13H3,(H,50,51)/b24-18+/t25-,26+,27+,28+,29-,30+,31-,32+,33-,34-,35+,36+,37-,38-,39+,41+,42+,44+,45-,46-,47-/m0/s1
SMILES COC1CCC(OC2CC(C3(C)CCC4(CC(O)C(C)C(C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)O4)O3)OC3(OC(C4OC(C)(O)C(C)CC4C)CC3C)C2C)OC1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus TM-531 Ref.
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