input word = C00005954

Metabolite InformationStructural formula
Name Quercetin 3-(2'',3'',4''-triacetylgalactoside)
Formula C27H26O15
Mw 590.12717016
CAS RN 146018-89-5
C_ID C00005954 ,
InChIKey AXCXJIKUZOEPMX-ZNNBFHNONA-N
InChICode InChI=1S/C27H26O15/c1-10(29)37-23-19(9-28)41-27(26(39-12(3)31)25(23)38-11(2)30)42-24-21(36)20-17(35)7-14(32)8-18(20)40-22(24)13-4-5-15(33)16(34)6-13/h4-8,19,23,25-28,32-35H,9H2,1-3H3/t19-,23-,25-,26+,27-/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)OC(=O)C)OC(=O)C)OC(=O)C)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTagetes elliptica Ref.
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