input word = C00017044

Metabolite InformationStructural formula
Name Benanomicin C
Pradimicin N
Formula C29H25NO12
Mw 579.13767527
CAS RN 129051-64-5
C_ID C00017044 ,
InChIKey GRWBRZRHHYOYGA-UHFFFAOYNA-N
InChICode InChI=1S/C29H25NO12/c1-8-5-11-16(23(34)14(8)28(38)30-9(2)29(39)40)17-19(26(37)22(11)33)27(42-4)20-18(25(17)36)21(32)12-6-10(41-3)7-13(31)15(12)24(20)35/h5-7,9,22,26,31,33-34,36-37H,1-4H3,(H,30,38)(H,39,40)/t9-,22-,26-/m0/s1
SMILES c1(cc(c2c(c1)C(=O)c1c(C2=O)c(c2c(c1O)c1c([C@@H]([C@H]2O)O)cc(c(c1O)C(=O)N[C@@H](C)C(=O)O)C)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaThermomonosporaceaeActinomadura hibisca P157-2 Ref.
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