input word = C00017031

Metabolite InformationStructural formula
Name Bu 3608FA1
Pradimicin FA 1
Formula C40H44N2O19
Mw 856.25382724
CAS RN 131426-58-9
C_ID C00017031 ,
InChIKey SFXVRNRSRKABOY-WPAVQFQXNA-N
InChICode InChI=1S/C40H44N2O19/c1-11-5-17-24(31(50)21(11)37(54)42-18(9-43)38(55)56)23-15(8-16-25(32(23)51)28(47)14-6-13(57-4)7-19(44)22(14)27(16)46)29(48)35(17)60-40-34(53)36(26(41-3)12(2)59-40)61-39-33(52)30(49)20(45)10-58-39/h5-8,12,18,20,26,29-30,33-36,39-41,43-45,48-53H,9-10H2,1-4H3,(H,42,54)(H,55,56)/t12-,18+,20+,26-,29+,30+,33+,34+,35+,36-,39+,40-/m0/s1
SMILES CN[C@H]1C(C)O[C@@H](OC2c3cc(C)c(C(=O)NC(CO)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)C2O)C(O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura hibisca A2493 (ATCC 53815) Ref.
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