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 COC1CC(OC2C(C)OC(OC3C(C)OC(OC4CCC(OC5CC(O)c6c(oc7c8c9c(c(O)c7c6=O)-c6c(cc7c(c6O)C(=O)N6CCOC6(C)C7)CC9OCO8)C5O)OC4C)CC3OC)CC2OC)OC(C)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys Secologanin
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis sp. ML630-mF1 Ref.
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OrganismAmycolatopsis sp. ML630-mF1
ReferenceKunimoto,J.Antibiotics 56,(2003),1004