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 c1c(cc(c(c1)O)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)CC(=O)O)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeLactuca sativa Ref.
PlantaeRanunculaceaeRanunculus fluitans Ref.
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