input word = C00016025

Metabolite InformationStructural formula
Name Antibiotic FD 594
FD 594
Formula C47H56O20
Mw 940.33649423
CAS RN 175644-46-9
C_ID C00016025 ,
InChIKey AUXDHORIJUSTHY-DGRISNEVNA-N
InChICode InChI=1S/C47H56O20/c1-7-8-20-11-19-12-21-31(39(53)30(19)47(57)63-20)33-34(42(56)37(21)51)45(59-6)46-35(41(33)55)40(54)32-24(65-46)9-10-25(38(32)52)64-27-13-22(48)43(17(3)61-27)66-28-14-23(49)44(18(4)62-28)67-29-15-26(58-5)36(50)16(2)60-29/h9-10,12,16-18,20,22-23,26-29,36-37,42-44,48-53,55-56H,7-8,11,13-15H2,1-6H3/t16-,17-,18-,20-,22-,23-,26-,27+,28+,29+,36-,37+,42+,43+,44-/m1/s1
SMILES c12c(oc3c(c1=O)c(c1c(c3OC)[C@@H]([C@H](c3c1c(c1c(c3)C[C@H](OC1=O)CCC)O)O)O)O)ccc(c2O)O[C@@H]1O[C@@H]([C@@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)O)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. TA-0256 Ref.
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