input word = C00013869

Metabolite InformationStructural formula
Name Quercetin 3-(2'',6''-digalloylgalactoside)
3-[[2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C35H28O20
Mw 768.11739334
CAS RN 200860-88-4
C_ID C00013869 ,
InChIKey YMGFSEXNBFRWPP-NAFWHAPKNA-N
InChICode InChI=1S/C35H28O20/c36-14-8-17(39)24-22(9-14)52-30(11-1-2-15(37)16(38)3-11)31(28(24)47)55-35-32(54-34(50)13-6-20(42)26(45)21(43)7-13)29(48)27(46)23(53-35)10-51-33(49)12-4-18(40)25(44)19(41)5-12/h1-9,23,27,29,32,35-46,48H,10H2/t23-,27+,29+,32-,35+/m1/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeAcer okamotanum Ref.
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