input word = C00015026

Metabolite InformationStructural formula
Name Kigamicin E
Formula C55H71NO22
Mw 1097.44677296
CAS RN 680571-53-3
C_ID C00015026 ,
InChIKey HSNNYVGQDKCUKD-UHFFFAOYNA-N
InChICode InChI=1S/C55H71NO22/c1-21-28(74-35-17-32(65-7)49(23(3)72-35)77-37-18-33(66-8)50(24(4)73-37)76-36-16-30(64-6)44(58)22(2)71-36)9-10-34(70-21)75-31-15-27(57)40-47(61)43-48(62)42-38-25(13-26-19-55(5)56(11-12-69-55)54(63)39(26)46(38)60)14-29-41(42)52(68-20-67-29)53(43)78-51(40)45(31)59/h13,21-24,27-37,44-45,49-50,57-60,62H,9-12,14-20H2,1-8H3/t21-,22-,23+,24+,27-,28+,29-,30-,31-,32+,33+,34+,35-,36+,37+,44+,45-,49-,50-,55-/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@@H]1O[C@@H]([C@@H]([C@@H](C1)OC)O)C)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