input word = C00017032

Metabolite InformationStructural formula
Name Bu 3608FA2
Pradimicin FA 2
Formula C39H42N2O19
Mw 842.23817718
CAS RN 131443-10-2
C_ID C00017032 ,
InChIKey JNJSOWKXFVKKCL-QUACXJNJNA-N
InChICode InChI=1S/C39H42N2O19/c1-10-4-16-23(30(49)20(10)36(53)41-17(8-42)37(54)55)22-14(7-15-24(31(22)50)27(46)13-5-12(56-3)6-18(43)21(13)26(15)45)28(47)34(16)59-39-33(52)35(25(40)11(2)58-39)60-38-32(51)29(48)19(44)9-57-38/h4-7,11,17,19,25,28-29,32-35,38-39,42-44,47-52H,8-9,40H2,1-3H3,(H,41,53)(H,54,55)/t11-,17+,19-,25-,28-,29-,32-,33+,34-,35-,38-,39-/m0/s1
SMILES c1(cc(c2c(c1)C(=O)c1c(C2=O)cc2c(c1O)c1c([C@@H]([C@H]2O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](O2)C)N)O[C@H]2[C@H]([C@H]([C@H](CO2)O)O)O)O)cc(c(c1O)C(=O)N[C@@H](C(=O)O)CO)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura hibisca A2493 (ATCC 53815) Ref.
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