input word = C00018477

Metabolite InformationStructural formula
Name Concanamycin B
MCH 210
Formula C45H73NO14
Mw 851.50310605
CAS RN 81552-33-2
C_ID C00018477 ,
InChIKey AQXXGIBOZQZSAT-ZGYGIONHNA-N
InChICode InChI=1S/C45H73NO14/c1-13-15-33-27(6)36(57-37-21-32(47)42(31(10)56-37)59-44(46)52)22-45(53,60-33)30(9)40(50)29(8)41-34(54-11)17-14-16-23(2)18-25(4)38(48)28(7)39(49)26(5)19-24(3)20-35(55-12)43(51)58-41/h13-17,19-20,25-34,36-42,47-50,53H,18,21-22H2,1-12H3,(H2,46,52)/b15-13+,17-14+,23-16+,24-19+,35-20-/t25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,36-,37-,38+,39-,40-,41-,42+,45-/m1/s1
SMILES [C@@H]1([C@H]([C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]1C)/C)/OC)[C@H]([C@H]([C@H](C)[C@]1(C[C@H]([C@@H]([C@H](O1)/C=C/C)C)O[C@@H]1C[C@H]([C@H]([C@H](O1)C)OC(=O)N)O)O)O)C)OC)/C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces diastatochromogenes S-45 Ref.
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