input word = C00018844

Metabolite InformationStructural formula
Name 7-O-Dimethylcelesticetin
Formula C23H34N2O9S
Mw 514.19850143
CAS RN 39032-05-8
C_ID C00018844 ,
InChIKey YYUIVIDHYIOOCM-UILOIHOTNA-N
InChICode InChI=1S/C23H34N2O9S/c1-12(26)16(24-21(31)14-7-5-9-25(14)2)20-18(29)17(28)19(30)23(34-20)35-11-10-33-22(32)13-6-3-4-8-15(13)27/h3-4,6,8,12,14,16-20,23,26-30H,5,7,9-11H2,1-2H3,(H,24,31)/t12-,14+,16-,17+,18-,19-,20+,23-/m1/s1
SMILES N([C@H]([C@H](O)C)[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SCCOC(=O)c1c(cccc1)O)O)O)O)C(=O)[C@@H]1CCCN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces caelestis strain 22227 Ref.
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