input word = C00005970

Metabolite InformationStructural formula
Name Quercetin 4'-(6''-galloylglucoside)
Formula C28H24O16
Mw 616.10643472
CAS RN 149998-41-4
C_ID C00005970 ,
InChIKey DJKLSYQJVKLXFN-TUGJCWKPNA-N
InChICode InChI=1S/C28H24O16/c29-11-6-13(31)19-17(7-11)42-26(24(38)22(19)36)9-1-2-16(12(30)3-9)43-28-25(39)23(37)21(35)18(44-28)8-41-27(40)10-4-14(32)20(34)15(33)5-10/h1-7,18,21,23,25,28-35,37-39H,8H2/t18-,21-,23-,25-,28-/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O)c1ccc(c(c1)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)c1cc(c(c(c1)O)O)O)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus rostrata Ref.
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