input word = C00013682

Metabolite InformationStructural formula
Name Diosmetin 7-Apiosyl-(1->2)-(6''-acetylglucoside)
7-[(6-O-Acetyl-2-O-D-apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
Formula C29H32O16
Mw 636.16903498
CAS RN 244173-89-5
C_ID C00013682 ,
InChIKey FGALOZIRMNCSRZ-GWTPUACSNA-N
InChICode InChI=1S/C29H32O16/c1-12(31)40-9-21-23(35)24(36)25(45-28-26(37)29(38,10-30)11-41-28)27(44-21)42-14-6-16(33)22-17(34)8-19(43-20(22)7-14)13-3-4-18(39-2)15(32)5-13/h3-8,21,23-28,30,32-33,35-38H,9-11H2,1-2H3/t21-,23-,24+,25-,26-,27-,28+,29-/m1/s1
SMILES c1c(cc(c(c1)OC)O)c1oc2c(c(=O)c1)c(cc(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O[C@H]1[C@H]([C@@](O)(CO)CO1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaePaullinia pinnata Ref.
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