input word = C00004440

Metabolite InformationStructural formula
Name 5,7,3'-Trihydroxy-6.8,4'-trimethoxyflavone 5-(6''-acetylglucoside)
Formula C26H28O14
Mw 564.14790561
CAS RN 72209-43-9
C_ID C00004440 ,
InChIKey FFHGFFUGZHGVBY-APEVMMGGNA-N
InChICode InChI=1S/C26H28O14/c1-10(27)37-9-16-18(30)19(31)20(32)26(39-16)40-23-17-13(29)8-15(11-5-6-14(34-2)12(28)7-11)38-22(17)24(35-3)21(33)25(23)36-4/h5-8,16,18-20,26,28,30-33H,9H2,1-4H3/t16-,18?,19+,20-,26+/m1/s1
SMILES c1(c(c(c2c(c1OC)oc(cc2=O)c1ccc(c(c1)O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeVitex negundo Ref.
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