input word = C00018674

Metabolite InformationStructural formula
Name Aburamycin A
Formula C59H86O26
Mw 1210.54073292
CAS RN 6992-70-7
C_ID C00018674 ,
InChIKey WPLCTUHONLQGIX-VYTYBYKKNA-N
InChICode InChI=1S/C59H86O26/c1-22(2)58(70)85-57-29(9)78-43(21-59(57,11)71)82-37-18-40(74-25(5)49(37)66)81-36-19-42(75-26(6)48(36)65)84-56-33(55(73-13)52(69)47(64)24(4)60)15-31-14-32-16-35(23(3)46(63)44(32)50(67)45(31)51(56)68)80-41-20-38(54(28(8)77-41)79-30(10)61)83-39-17-34(62)53(72-12)27(7)76-39/h14,16,22,24-29,33-34,36-43,47-49,53-57,60,62-67,71H,15,17-21H2,1-13H3/t24-,25-,26-,27+,28+,29-,33-,34-,36+,37+,38-,39+,40-,41+,42-,43-,47+,48-,49-,53+,54-,55-,56-,57-,59-/m0/s1
SMILES c12c(C(=O)[C@H]([C@@H](C1)[C@H](OC)C(=O)[C@@H]([C@H](C)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O[C@@H]1O[C@H]([C@@H]([C@@](C1)(C)O)OC(=O)C(C)C)C)c(c1c(c2)cc(c(c1O)C)O[C@@H]1C[C@@H]([C@H]([C@H](O1)C)OC(=O)C)O[C@@H]1C[C@@H]([C@@H]([C@H](O1)C)OC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aburaviensis sp. n. S-66 Ref.
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