input word = C00005957

Metabolite InformationStructural formula
Name Quercetin 3-(2''-galloylglucoside)
Quercetin-3-O-(2''-O-galloyl)-beta-D-glucopyranoside
Formula C28H24O16
Mw 616.10643472
CAS RN 69624-79-9
C_ID C00005957 ,
InChIKey PXGWEUQZDRUMRE-ZKJKSYOBNA-N
InChICode InChI=1S/C28H24O16/c29-8-18-21(37)23(39)26(43-27(40)10-4-15(34)20(36)16(35)5-10)28(42-18)44-25-22(38)19-14(33)6-11(30)7-17(19)41-24(25)9-1-2-12(31)13(32)3-9/h1-7,18,21,23,26,28-37,39H,8H2/t18-,21-,23+,26-,28+/m1/s1
SMILES O=C(O[C@@H]1C(O)[C@H](O)C(CO)O[C@H]1Oc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEbenaceaeDiospyros kaki Ref.
PlantaeEuphorbiaceaeEuphorbia maculata Ref.
PlantaePolygonaceaePolygonum nodosum Ref.
PlantaePolygonaceaePolygonum salicifolium Ref.
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