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 O=c1c(O[C@@H]2OC(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGlycine max Ref.
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