input word = C00005950

Metabolite InformationStructural formula
Name Quercetin 3-(2''-galloylgalactoside)
Formula C28H24O16
Mw 616.10643472
CAS RN
C_ID C00005950 ,
InChIKey PXGWEUQZDRUMRE-QCKCPLFHNA-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-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaePyrola incarnata Ref.
PlantaeEuphorbiaceaeEuphorbia helioscopia Ref.
PlantaeEuphorbiaceaeEuphorbia seguieriana Ref.
PlantaeEuphorbiaceaeEuphorbia virosa Ref.
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