input word = C00018855

Metabolite InformationStructural formula
Name N-Demethylcelesticetin
Formula C23H34N2O9S
Mw 514.19850143
CAS RN 40736-31-0
C_ID C00018855 ,
InChIKey JGNMAXOBERVZHJ-UILOIHOTNA-N
InChICode InChI=1S/C23H34N2O9S/c1-12(32-2)16(25-21(30)14-7-5-9-24-14)20-18(28)17(27)19(29)23(34-20)35-11-10-33-22(31)13-6-3-4-8-15(13)26/h3-4,6,8,12,14,16-20,23-24,26-29H,5,7,9-11H2,1-2H3,(H,25,30)/t12-,14+,16-,17+,18-,19-,20+,23-/m1/s1
SMILES COC(C)C(NC(=O)C1CCCN1)C1O[C@H](SCCOC(=O)c2ccccc2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces caelestis strain 22218a Ref.
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