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 COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(CO)C(=O)O)c1O)C(O[C@@H]1OC(C)[C@H](N)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)C4O)C1O)C3O)C2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura hibisca A2493 (ATCC 53815) Ref.
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