input word = C00005959

Metabolite InformationStructural formula
Name Quercetin 3-(2''-p-coumarylglucoside)
Formula C30H26O14
Mw 610.13225554
CAS RN 115909-21-2
C_ID C00005959 ,
InChIKey UVCBMXSJQAXKON-CSESMDIBNA-N
InChICode InChI=1S/C30H26O14/c31-12-21-24(38)26(40)29(43-22(37)8-3-13-1-5-15(32)6-2-13)30(42-21)44-28-25(39)23-19(36)10-16(33)11-20(23)41-27(28)14-4-7-17(34)18(35)9-14/h1-11,21,24,26,29-36,38,40H,12H2/b8-3+/t21-,24-,26+,29-,30+/m1/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)/C=C/c1ccc(cc1)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeFagopyrum cymosum Ref.
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