input word = C00017529

Metabolite InformationStructural formula
Name UK 69753
Formula C58H86N2O18
Mw 1098.58756396
CAS RN 118117-42-3
C_ID C00017529 ,
InChIKey SAOPKAPZHUMVPA-PHMTVEDTNA-N
InChICode InChI=1S/C58H86N2O18/c1-14-16-20-28-41-57(8,9)42(76-55-48(67)51(72-12)50(37(7)75-55)77-56-52(73-13)47(66)46(65)36(6)74-56)32-58(70,78-41)38(15-2)53(68)59-30-24-23-26-34(4)49(71-11)35(5)45(64)40(62)27-22-19-17-18-21-25-33(3)44(63)43-39(61)29-31-60(10)54(43)69/h14,16-29,31,35-38,40-42,45-52,55-56,61-62,64-67,70H,15,30,32H2,1-13H3,(H,59,68)/b16-14-,19-17+,21-18+,24-23+,27-22+,28-20+,33-25+,34-26+/t35-,36-,37-,38+,40-,41-,42-,45-,46-,47+,48+,49+,50+,51+,52-,55-,56-,58-/m0/s1
SMILES n1(ccc(c(c1=O)C(=O)/C(=C/C=C/C=C\C=C\[C@@H]([C@H]([C@H](C)[C@H](OC)/C(=C/C=C/CNC(=O)[C@H]([C@@]1(C[C@@H](C([C@@H](O1)/C=C/C=C\C)(C)C)O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]2O[C@H]([C@@H]([C@H]([C@@H]2OC)O)O)C)[C@@H](O1)C)OC)O)O)CC)/C)O)O)/C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis orientalis ATCC 53550 Ref.
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