input word = C00005958

Metabolite InformationStructural formula
Name Quercetin 3-(6''-galloylglucoside)
Formula C28H24O16
Mw 616.10643472
CAS RN 56316-75-7
C_ID C00005958 ,
InChIKey FMQQLXJREAGPHS-UGEUAMLGNA-N
InChICode InChI=1S/C28H24O16/c29-11-6-14(32)19-17(7-11)42-25(9-1-2-12(30)13(31)3-9)26(22(19)37)44-28-24(39)23(38)21(36)18(43-28)8-41-27(40)10-4-15(33)20(35)16(34)5-10/h1-7,18,21,23-24,28-36,38-39H,8H2/t18-,21-,23+,24-,28+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=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)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCupressaceaeJuniperus spp. Ref.
PlantaeHamamelidaceaeLiquidambar formosana Ref.
PlantaeSaxifragaceaeHeuchera spp. Ref.
PlantaeSaxifragaceaeTellima grandiflora Ref.
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