input word = C00005411

Metabolite InformationStructural formula
Name Quercetin 3-gentiobioside
Formula C27H30O17
Mw 626.14829954
CAS RN 7431-83-6
C_ID C00005411 ,
InChIKey FDRQPMVGJOQVTL-AVNJKGJRNA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(33)20(36)22(38)26(42-14)40-7-15-18(34)21(37)23(39)27(43-15)44-25-19(35)16-12(32)4-9(29)5-13(16)41-24(25)8-1-2-10(30)11(31)3-8/h1-5,14-15,17-18,20-23,26-34,36-39H,6-7H2/t14-,15-,17-,18-,20+,21-,22-,23+,26-,27+/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)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAspleniaceaeCeterach officinarum Ref.
PlantaeCaryophyllalesBeta vulgaris Ref.
PlantaeCornaceae/Aucubaceae/Garryaceae/HelwingiaceaeCornus canadensis Ref.
PlantaeFabaceaeAcacia raddiana Ref.
PlantaeFabaceaeGlycine max Ref.
PlantaeFabaceaePhaseolus spp. Ref.
PlantaeFabaceaeVigna spp. Ref.
PlantaeMoraceaeMorus alba Ref.
PlantaePapaveraceaePapaver somniferum Ref.
PlantaePhyllanthaceaePhyllanthus emblica Ref.
PlantaePolemoniaceaeLinanthus spp. Ref.
PlantaePrimulaceaePrimula officinalis Ref.
PlantaePrimulaceaePrimula sinensis Ref.
PlantaeResedaceaeOchradenus baccatus Ref.
PlantaeRosaceaeCotoneaster oligantha Ref.
PlantaeRosaceaeSorbus pendula Ref.
PlantaeRosaceaeSorbus quercifolia Ref.
PlantaeZygophyllaceaeTribulus spp. Ref.
PlantaeZygophyllaceaeTribulus terrestris Ref.
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