input word = C00017889

Metabolite InformationStructural formula
Name Kanglemycin A
Formula C50H63NO19
Mw 981.39942884
CAS RN 114153-91-2
C_ID C00017889 ,
InChIKey KRBOMQKIXLJMRA-HLGOBSKZNA-N
InChICode InChI=1S/C50H63NO19/c1-21-13-12-14-29(26(6)67-48(62)49(9,10)19-34(54)55)40(57)23(3)39(56)24(4)43(68-28(8)52)22(2)32(69-35-18-33-45(27(7)66-35)64-20-63-33)15-16-65-50(11)46(60)38-36-31(53)17-30(51-47(21)61)42(59)37(36)41(58)25(5)44(38)70-50/h12-17,22-24,26-27,29,32-33,35,39-40,43,45,56-58H,18-20H2,1-11H3,(H,51,61)(H,54,55)/b14-12+,16-15+,21-13+/t22-,23-,24+,26-,27+,29-,32?,33+,35-,39+,40-,43+,45-,50-/m1/s1
SMILES CC(=O)OC1C(C)C(OC2CC3OCOC3C(C)O2)/C=C/OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)/C(C)=C/C=C/C(C(C)OC(=O)C(C)(C)CC(=O)O)C(O)C(C)C(O)C1C)C4=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis mediterranei var. kanglensis 1747-64 Ref.
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