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Concept information

organooxygen compound > ester > carboxylic ester > malonate ester > quercetin 3-o-(6-o-malonyl-beta-d-glucoside)
organooxygen compound > carbonyl compound > carboxylic ester > malonate ester > quercetin 3-o-(6-o-malonyl-beta-d-glucoside)

Preferred term

quercetin 3-o-(6-o-malonyl-beta-d-glucoside)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C24H22O15

inchi

  • InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1

inchikey

  • NBQPHANHNTWDML-UJKBSQBPSA-N

mass

  • 550.42250

monoisotopicmass

  • 550.09587

smiles

  • O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:32080

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