input word = C00005460

Metabolite InformationStructural formula
Name Quercetin 3-robinobioside-7-glucoside
Formula C33H40O21
Mw 772.20620834
CAS RN 29826-50-4
C_ID C00005460 ,
InChIKey SPUFXPFDJYNCFD-IORLHVGONA-N
InChICode InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)28(47)33(53-17)54-30-22(41)18-14(37)5-11(50-32-27(46)24(43)20(39)16(7-34)52-32)6-15(18)51-29(30)10-2-3-12(35)13(36)4-10/h2-6,9,16-17,19-21,23-28,31-40,42-47H,7-8H2,1H3/t9-,16-,17+,19-,20+,21-,23-,24-,25-,26+,27+,28+,31+,32+,33-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)cc(O)c4c3=O)C(O)C(O)[C@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos variabilis Ref.
PlantaeSolanaceaeAtropa belladonna Ref.
PlantaeSolanaceaePhysalis peruviana Ref.
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