input word = C00015025

Metabolite InformationStructural formula
Name Kigamicin D
Formula C48H59NO19
Mw 953.36812871
CAS RN 680571-52-2
C_ID C00015025 ,
InChIKey OZWBBSBTBYGVTM-BWARRCTLNA-N
InChICode InChI=1S/C48H59NO19/c1-18-24(65-30-15-28(58-6)43(20(3)64-30)67-31-14-26(57-5)38(51)19(2)63-31)7-8-29(62-18)66-27-13-23(50)34-41(54)37-42(55)36-32-21(11-22-16-48(4)49(9-10-61-48)47(56)33(22)40(32)53)12-25-35(36)45(60-17-59-25)46(37)68-44(34)39(27)52/h11,18-20,23-31,38-39,43,50-53,55H,7-10,12-17H2,1-6H3/t18-,19-,20-,23+,24+,25-,26-,27-,28-,29+,30+,31+,38-,39+,43-,48-/m1/s1
SMILES N12[C@@](Cc3c(C1=O)c(c1c(c3)C[C@@H]3c4c1c(c1c(c4OCO3)oc3c(c1=O)[C@H](C[C@H]([C@@H]3O)O[C@@H]1O[C@@H]([C@H](CC1)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H](C1)OC)O)C)OC)C)O)O)O)(OCC2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys Secologanin
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. ML630-mF1 Ref.
zoom in