input word = C00064245

Metabolite InformationStructural formula
Name Quercetin 3-diglucoside
Quercetin 3-O-diglucoside
Formula C27H30O17
Mw 626.14829954
CAS RN 27459-71-8
C_ID C00064245
InChIKey RDUAJIJVNHKTQC-UJECXLDQSA-N
InChICode InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15-,17-,18-,20+,21+,22-,25-,26+,27+/m1/s1
SMILES O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia mangium Ref.
PlantaeTurneraceaeTurnera diffusa Ref.
zoom in