input word = C00013891

Metabolite InformationStructural formula
Name Quercetin 3-(6''-(E)-sinapoylsophoroside)-7-rhamnoside
7-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
Formula C44H50O25
Mw 978.26411715
CAS RN 404843-89-6
C_ID C00013891 ,
InChIKey RWOROKYFJDCRSX-FDVAHYOONA-N
InChICode InChI=1S/C44H50O25/c1-15-29(50)34(55)37(58)42(63-15)64-18-11-21(48)28-22(12-18)65-39(17-5-6-19(46)20(47)10-17)40(33(28)54)68-44-41(36(57)31(52)25(13-45)66-44)69-43-38(59)35(56)32(53)26(67-43)14-62-27(49)7-4-16-8-23(60-2)30(51)24(9-16)61-3/h4-12,15,25-26,29,31-32,34-38,41-48,50-53,55-59H,13-14H2,1-3H3/b7-4+/t15-,25+,26-,29-,31+,32+,34+,35-,36-,37-,38-,41+,42-,43-,44-/m0/s1
SMILES c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1cc(c(c(c1)OC)O)OC)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeElaeagnaceaeElaeagnus bockii Ref.
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