input word = C00005453

Metabolite InformationStructural formula
Name Quercetin 3-(2G-glucosylgentiobioside)
Formula C33H40O22
Mw 788.20112297
CAS RN 55696-56-5
C_ID C00005453 ,
InChIKey QSUCYXFFQLQGKE-YIRMBCKDNA-N
InChICode InChI=1S/C33H40O22/c34-6-15-19(40)23(44)26(47)31(51-15)49-8-17-21(42)25(46)30(55-32-27(48)24(45)20(41)16(7-35)52-32)33(53-17)54-29-22(43)18-13(39)4-10(36)5-14(18)50-28(29)9-1-2-11(37)12(38)3-9/h1-5,15-17,19-21,23-27,30-42,44-48H,6-8H2/t15-,16+,17-,19-,20-,21-,23+,24-,25+,26-,27-,30-,31-,32+,33+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
zoom in