input word = C00057602

Metabolite InformationStructural formula
Name Quercetin 7-gentiobioside
Formula C27H30O17
Mw 626.14829954
CAS RN 852617-04-0
C_ID C00057602
InChIKey VFYBVYBSNVGGSZ-MTOHUUADSA-N
InChICode InChI=1S/C27H32O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-7-15-18(33)21(36)24(39)27(44-15)41-9-4-12(31)16-13(5-9)42-25(22(37)19(16)34)8-1-2-10(29)11(30)3-8/h1-5,14-15,17-18,20-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22?,23-,24-,25?,26-,27-/m1/s1
SMILES O=C1c2c(O)cc(OC3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2OC(c2ccc(O)c(O)c2)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeDescurainia sophia Ref.
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