input word = C00018093

Metabolite InformationStructural formula
Name Antibiotic FR 02A
Efrotomycin
Efrotomycin A1
FR 02A
MK 621
Producil
Formula C59H88N2O20
Mw 1144.59304327
CAS RN 56592-32-6
C_ID C00018093 ,
InChIKey ASOJLQIBBYOFDE-VKBOYYOHNA-N
InChICode InChI=1S/C59H88N2O20/c1-15-17-19-27-39-58(8,9)53(80-56-45(67)50(74-13)49(35(7)76-56)79-57-51(75-14)44(66)48(73-12)34(6)77-57)52(68)59(71,81-39)36(16-2)54(69)60-29-23-22-25-32(4)46(72-11)33(5)47-43(65)42(64)38(78-47)26-21-18-20-24-31(3)41(63)40-37(62)28-30-61(10)55(40)70/h15,17-28,30,33-36,38-39,42-53,56-57,62,64-68,71H,16,29H2,1-14H3,(H,60,69)/b17-15-,20-18+,23-22+,26-21+,27-19+,31-24+,32-25+/t33-,34+,35-,36-,38-,39+,42+,43-,44-,45-,46-,47+,48+,49-,50-,51+,52-,53+,56+,57+,59-/m1/s1
SMILES n1(c(=O)c(C(=O)/C(=C/C=C/C=C/[C@H]2O[C@@H]([C@@H]([C@@H](/C(=C/C=C/CNC(=O)[C@H]([C@@]3([C@@H]([C@H](O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C)O[C@@H]4O[C@H]([C@@H]([C@H]([C@@H]4OC)O)OC)C)OC)O)C([C@@H](O3)/C=C/C=C\C)(C)C)O)O)CC)/C)OC)C)[C@@H]([C@H]2O)O)/C)c(cc1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis lactamdurans Ref.
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