input word = C00016798

Metabolite InformationStructural formula
Name Pradimicin FB
Formula C35H36N2O15
Mw 724.2115685
CAS RN 131426-61-4
C_ID C00016798 ,
InChIKey YLKHGLQUCDIHFA-ZKWHONDBNA-N
InChICode InChI=1S/C35H36N2O15/c1-10-5-16-22(28(43)19(10)33(47)37-17(9-38)34(48)49)21-14(27(42)32(16)52-35-31(46)30(45)24(36-3)11(2)51-35)8-15-23(29(21)44)26(41)13-6-12(50-4)7-18(39)20(13)25(15)40/h5-8,11,17,24,27,30-32,35-36,38-39,42-46H,9H2,1-4H3,(H,37,47)(H,48,49)/t11-,17+,24+,27+,30+,31-,32+,35+/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](CO)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)NC)O)O)O)O)c(cc(c2)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura spinosa AA0851 Ref.
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