input word = C00016795

Metabolite InformationStructural formula
Name Pradimicin L
Formula C41H46N2O19
Mw 870.26947731
CAS RN 148441-26-3
C_ID C00016795 ,
InChIKey GHJAVLVTKGUJCU-QZPLVIOCNA-N
InChICode InChI=1S/C41H46N2O19/c1-11-6-18-24(31(50)21(11)38(55)43-12(2)39(56)57)23-16(9-17-25(32(23)51)28(47)15-7-14(58-5)8-19(45)22(15)27(17)46)29(48)36(18)61-41-35(54)37(26(42-4)13(3)59-41)62-40-34(53)33(52)30(49)20(10-44)60-40/h6-9,12-13,20,26,29-30,33-37,40-42,44-45,48-54H,10H2,1-5H3,(H,43,55)(H,56,57)/t12-,13+,20-,26+,29+,30+,33+,34+,35-,36-,37+,40+,41+/m1/s1
SMILES c12c(C(=O)c3c(C1=O)c(c1c(c3)[C@@H]([C@@H](c3c1c(c(c(c3)C)C(=O)N[C@@H](C(=O)O)C)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)NC)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura verrucosospora subsp. neohibisca subsp. nov. Ref.
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