input word = C00018478

Metabolite InformationStructural formula
Name Concanamycin C
Formula C45H74O13
Mw 822.51294245
CAS RN 81552-34-3
C_ID C00018478 ,
InChIKey XKYYLWWOGLVPOR-YDQYOWETNA-N
InChICode InChI=1S/C45H74O13/c1-13-16-34-28(7)37(56-38-22-33(46)42(50)31(10)55-38)23-45(52,58-34)30(9)41(49)29(8)43-35(53-11)18-15-17-24(3)19-26(5)39(47)32(14-2)40(48)27(6)20-25(4)21-36(54-12)44(51)57-43/h13,15-18,20-21,26-35,37-43,46-50,52H,14,19,22-23H2,1-12H3/b16-13+,18-15+,24-17+,25-20+,36-21-/t26-,27-,28-,29+,30-,31+,32+,33-,34-,35+,37-,38+,39+,40-,41-,42-,43-,45-/m1/s1
SMILES [C@@H]1([C@H]([C@@H](C/C(=C/C=C/[C@@H]([C@H](OC(=O)/C(=C/C(=C/[C@H]([C@H]1O)C)/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)O)O)O)O)C)OC)/C)C)O)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces diastatochromogenes S-45 Ref.
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