input word = C00017812

Metabolite InformationStructural formula
Name Clostomicin B1
Lipiarmicin
Lipiarmycin
Lipiarmycin A 3
OPT 80
Tiacumicin B
Formula C52H74Cl2O18
Mw 1056.42522098
CAS RN 56645-60-4
C_ID C00017812 ,
InChIKey ZVGNESXIJDCBKN-AKPWFZCONA-N
InChICode InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22-,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41-,42-,43+,44+,45-,46+,50-,51+/m1/s1
SMILES [C@@H]1(/C=C(\[C@H](C/C=C/C=C(/C(=O)O[C@@H](C/C=C(/C=C(/[C@@H]1O[C@H]1[C@@H]([C@H]([C@@H](C(O1)(C)C)OC(=O)C(C)C)O)O)\C)\C)[C@@H](C)O)\CO[C@H]1O[C@@H]([C@@H]([C@H]([C@H]1OC)O)OC(=O)c1c(c(c(c(c1O)Cl)O)Cl)CC)C)O)/C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaActinoplanaceaeActinoplanes deccanensis nov. sp. Ref.
BacteriaMicromonosporaceaeMicromonospora echinospora subsp. armeniaca subsp. nov. KMR-593 Ref.
--Dactylosporangium aurantiacum subsp. hamdenensis AB718C-41 Ref.
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