input word = C00005483

Metabolite InformationStructural formula
Name Quercetin 3-glucoside-7-rutinoside
Formula C33H40O21
Mw 772.20620834
CAS RN 28288-95-1
C_ID C00005483 ,
InChIKey VRSNQCLFKXCKDR-XYDAZNTPNA-N
InChICode InChI=1S/C33H40O21/c1-9-19(38)23(42)26(45)31(49-9)48-8-17-21(40)25(44)27(46)32(53-17)50-11-5-14(37)18-15(6-11)51-29(10-2-3-12(35)13(36)4-10)30(22(18)41)54-33-28(47)24(43)20(39)16(7-34)52-33/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)O)O)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeBaptisia lecontei Ref.
PlantaeFabaceaeDolichopsis paraguariensis Ref.
PlantaeFabaceaeMacroptilium spp. Ref.
PlantaeFabaceaePhaseolus spp. Ref.
PlantaeFabaceaeVigna peduncularis Ref.
PlantaeOrchidaceaeOrchis papilionacea Ref.
PlantaeSolanaceaeSolanum spp. Ref.
zoom in