input word = C00013883

Metabolite InformationStructural formula
Name Quercetin 3-(6''-malonylglucoside)-7-glucoside
3-[[6-O-(Carboxyacetyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
Formula C30H32O20
Mw 712.14869347
CAS RN 194093-39-5
C_ID C00013883 ,
InChIKey ZLQYEKDHCDLAGO-FYGSCQHUNA-N
InChICode InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)/t15-,16+,20+,21+,23-,24-,25-,26-,29+,30-/m0/s1
SMILES O=C(O)CC(=O)OCC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)C(O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa Ref.
PlantaeRanunculaceaeRanunculus fluitans Ref.
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