input word = C00017649

Metabolite InformationStructural formula
Name CP 63517
Endusamycin
Formula C47H78O14
Mw 866.5391572
CAS RN 100242-41-9
C_ID C00017649 ,
InChIKey IXZQKHXEQYZXTP-RAQKJBQPNA-N
InChICode InChI=1S/C47H78O14/c1-24(40(50)25(2)18-28(5)43(51)52)17-26(3)41-32(9)34(49)21-45(59-41)22-38(56-39-16-14-35(54-12)33(10)55-39)44(11,61-45)37-15-13-29(6)47(58-37)31(8)20-36(57-47)42-27(4)19-30(7)46(53,23-48)60-42/h17,25-39,41-42,48-49,53H,13-16,18-23H2,1-12H3,(H,51,52)/b24-17+/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,41-,42+,44+,45+,46+,47-/m1/s1
SMILES [C@]12(C[C@@H]([C@H]([C@H](O1)[C@H](/C=C(/C(=O)[C@@H](C[C@H](C)C(=O)O)C)\C)C)C)O)C[C@H]([C@@](O2)([C@@H]1O[C@]2([C@@H](CC1)C)[C@H](C[C@@H](O2)[C@@H]1[C@H](C[C@H]([C@@](O1)(CO)O)C)C)C)C)O[C@H]1CC[C@@H]([C@H](O1)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces endus subsp. aureus (ATCC 39574) Ref.
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