input word = C00015103

Metabolite InformationStructural formula
Name Chalcomycin B
Formula C41H64O16
Mw 812.419436
CAS RN 485810-82-0
C_ID C00015103 ,
InChIKey XJSZDFPQEHXXEE-MJWIWMOVNA-N
InChICode InChI=1S/C41H64O16/c1-12-30(43)55-34-25(7)53-39(38(49-11)37(34)48-10)50-20-26-24(6)52-32(45)17-14-21(3)33(22(4)19-41(8,46)29(42)16-15-27-35(26)54-27)57-40-36(56-31(44)13-2)28(47-9)18-23(5)51-40/h14-17,21-28,33-40,46H,12-13,18-20H2,1-11H3/b16-15+,17-14+/t21-,22-,23+,24+,25+,26+,27-,28-,33+,34+,35-,36-,37-,38+,39+,40-,41-/m0/s1
SMILES O1[C@H]2[C@@H]([C@H](OC(=O)/C=C/[C@@H]([C@H]([C@H](C[C@@](C(=O)/C=C/[C@H]12)(O)C)C)O[C@H]1[C@H]([C@H](C[C@H](O1)C)OC)OC(=O)CC)C)C)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)OC(=O)CC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. B7064 Ref.
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