input word = C00018727

Metabolite InformationStructural formula
Name Coumermycin A2
Formula C53H55N5O20
Mw 1081.34403924
CAS RN 3130-60-7
C_ID C00018727 ,
InChIKey TWWCTLHDVZOFIV-VVABVVPONA-N
InChICode InChI=1S/C53H55N5O20/c1-21-26(44(63)57-32-34(59)24-14-16-29(22(2)38(24)73-48(32)67)71-50-36(61)40(42(69-8)52(4,5)77-50)75-46(65)27-12-10-18-54-27)20-56-31(21)45(64)58-33-35(60)25-15-17-30(23(3)39(25)74-49(33)68)72-51-37(62)41(43(70-9)53(6,7)78-51)76-47(66)28-13-11-19-55-28/h10-20,36-37,40-43,50-51,54-56,59-62H,1-9H3,(H,57,63)(H,58,64)/t36?,37-,40+,41+,42-,43-,50-,51-/m1/s1
SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc[nH]2)[C@@H](O)C(Oc2ccc3c(O)c(NC(=O)c4c[nH]c(C(=O)Nc5c(O)c6ccc(O[C@@H]7OC(C)(C)[C@H](OC)[C@@H](OC(=O)c8ccc[nH]8)[C@H]7O)c(C)c6oc5=O)c4C)c(=O)oc3c2C)OC1(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces rishiriensis Ref.
zoom in