input word = C00017876

Metabolite InformationStructural formula
Name Oligomycin E
Formula C45H72O13
Mw 820.49729239
CAS RN 110231-34-0
C_ID C00017876 ,
InChIKey UWEZMQMMPORRMH-DMWYWAMKNA-N
InChICode InChI=1S/C45H72O13/c1-12-32-17-15-13-14-16-25(3)40(52)43(10,54)41(53)31(9)39(51)30(8)38(50)29(7)37(49)24(2)18-21-36(48)56-42-28(6)33(20-19-32)57-45(44(42,11)55)35(47)22-26(4)34(58-45)23-27(5)46/h13-15,17-18,21,24-34,37,39-40,42,46,49,51-52,54-55H,12,16,19-20,22-23H2,1-11H3/b14-13-,17-15-,21-18+/t24-,25-,26+,27-,28-,29-,30-,31+,32+,33-,34+,37+,39+,40+,42+,43+,44+,45+/m1/s1
SMILES CCC1/C=CC=C/CC(C)C(O)C(C)(O)C(=O)C(C)C(O)C(C)C(=O)C(C)C(O)C(C)/C=C/C(=O)OC2C(C)C(CC1)OC1(OC(CC(C)O)C(C)CC1=O)C2(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. MCI-2225 Ref.
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