input word = C00016718

Metabolite InformationStructural formula
Name Concanamycin D
4'-O-De(aminocarbonyl)-8-deethyl-8-methyl-concanamycin A
Formula C44H72O13
Mw 808.49729239
CAS RN 144450-34-0
C_ID C00016718 ,
InChIKey MTLOJNVKXXZIBC-CXPACVDINA-N
InChICode InChI=1S/C44H72O13/c1-13-15-33-27(6)36(55-37-21-32(45)41(49)31(10)54-37)22-44(51,57-33)30(9)40(48)29(8)42-34(52-11)17-14-16-23(2)18-25(4)38(46)28(7)39(47)26(5)19-24(3)20-35(53-12)43(50)56-42/h13-17,19-20,25-34,36-42,45-49,51H,18,21-22H2,1-12H3/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-,44-/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@]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)C)O)C)OC)/C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. A1509 Ref.
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