input word = C00002461

Metabolite InformationStructural formula
Name Coumermycin A1
Formula C55H59N5O20
Mw 1109.37533937
CAS RN 4434-05-3
C_ID C00002461 ,
InChIKey WTIJXIZOODAMJT-KHJHQJPXNA-N
InChICode InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39+,42+,43+,44+,45+,52+,53+/m0/s1
SMILES c1c(c(c2c(c1)c(c(c(=O)o2)NC(=O)c1c[nH]c(c1C)C(=O)Nc1c(=O)oc2c(c(ccc2c1O)O[C@H]1[C@@H]([C@H]([C@H](C(O1)(C)C)OC)OC(=O)c1ccc([nH]1)C)O)C)O)C)O[C@H]1[C@H]([C@H]([C@H](C(O1)(C)C)OC)OC(=O)c1ccc([nH]1)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces rishiriensis Ref.
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