input word = C00016796

Metabolite InformationStructural formula
Name Pradimicin FL
Formula C41H46N2O20
Mw 886.26439193
CAS RN 144556-98-9
C_ID C00016796 ,
InChIKey OCMFGTQYTXVJRJ-KVSLIKCENA-N
InChICode InChI=1S/C41H46N2O20/c1-11-5-17-24(31(51)21(11)38(56)43-18(9-44)39(57)58)23-15(8-16-25(32(23)52)28(48)14-6-13(59-4)7-19(46)22(14)27(16)47)29(49)36(17)62-41-35(55)37(26(42-3)12(2)60-41)63-40-34(54)33(53)30(50)20(10-45)61-40/h5-8,12,18,20,26,29-30,33-37,40-42,44-46,49-55H,9-10H2,1-4H3,(H,43,56)(H,57,58)/t12-,18+,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)CO)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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