input word = C00005953

Metabolite InformationStructural formula
Name Quercetin 3-(3'',6''-diacetylgalactoside)
Formula C25H24O14
Mw 548.11660548
CAS RN 146018-88-4
C_ID C00005953 ,
InChIKey BLCDUEDQDVPFKV-WOPGPGCVNA-N
InChICode InChI=1S/C25H24O14/c1-9(26)35-8-17-19(32)23(36-10(2)27)21(34)25(38-17)39-24-20(33)18-15(31)6-12(28)7-16(18)37-22(24)11-3-4-13(29)14(30)5-11/h3-7,17,19,21,23,25,28-32,34H,8H2,1-2H3/t17-,19+,21-,23+,25+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)OC(=O)C)O)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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