input word = C00013862

Metabolite InformationStructural formula
Name Quercetin 3-(4''-malonylrhamnoside)
3-[[4-O-(Carboxyacetyl)-6-deoxy-alpha-L-mannopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
Formula C24H22O14
Mw 534.10095541
CAS RN 354527-08-5
C_ID C00013862 ,
InChIKey QDSMZEFEPNUCQR-DYYREGAVNA-N
InChICode InChI=1S/C24H22O14/c1-8-21(37-16(31)7-15(29)30)19(33)20(34)24(35-8)38-23-18(32)17-13(28)5-10(25)6-14(17)36-22(23)9-2-3-11(26)12(27)4-9/h2-6,8,19-21,24-28,33-34H,7H2,1H3,(H,29,30)/t8-,19-,20-,21-,24-/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)C)OC(=O)CC(=O)O)O)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGrossulariaceaeRibes alpinum Ref.
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