input word = C00017596

Metabolite InformationStructural formula
Name BU 3608D
Pradimicin D
Formula C39H42N2O18
Mw 826.24326256
CAS RN 128162-62-9
C_ID C00017596 ,
InChIKey XTZUCVXVWVTYDG-UHFFFAOYNA-N
InChICode InChI=1S/C39H42N2O18/c1-11-5-17-24(31(50)21(11)37(54)41-9-20(44)45)23-15(8-16-25(32(23)51)28(47)14-6-13(55-4)7-18(42)22(14)27(16)46)29(48)35(17)58-39-34(53)36(26(40-3)12(2)57-39)59-38-33(52)30(49)19(43)10-56-38/h5-8,12,19,26,29-30,33-36,38-40,42-43,48-53H,9-10H2,1-4H3,(H,41,54)(H,44,45)/t12-,19+,26-,29-,30+,33+,34-,35+,36-,38+,39-/m0/s1
SMILES CNC1C(C)OC(OC2c3cc(C)c(C(=O)NCC(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)C2O)C(O)C1OC1OCC(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura hibisca P157-2 (ATCC 53557) Ref.
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