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 OC[C@H]([C@@H](O)[C@H](O)[C@H]1O)O[C@H]1OC[C@H]([C@@H](O)[C@H](O)[C@H]2O)O[C@H]2OC3=CC(OC(C4=CC=C(O)C(O)=C4)C(O)C5=O)=C5C(O)=C3
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeDescurainia sophia Ref.
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