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 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)C)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos variabilis Ref.
PlantaeSolanaceaeAtropa belladonna Ref.
PlantaeSolanaceaePhysalis peruviana Ref.
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