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CHEBI:176248 - Quercetin 3-lathyroside

ChEBI IDCHEBI:176248
ChEBI NameQuercetin 3-lathyroside
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O16
Net Charge0
Average Mass596.494
Monoisotopic Mass596.13773
SMILESO=c1c(O[C@@H]2OC(CO)[C@H](O)C(O)C2O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
InChIInChI=1S/C26H28O16/c27-6-15-18(34)20(36)24(42-25-21(37)17(33)13(32)7-38-25)26(40-15)41-23-19(35)16-12(31)4-9(28)5-14(16)39-22(23)8-1-2-10(29)11(30)3-8/h1-5,13,15,17-18,20-21,24-34,36-37H,6-7H2/t13-,15?,17?,18+,20?,21-,24?,25+,26+/m1/s1
InChIKeyNKFZLEYLWAFYEH-LVVWFKNXSA-N
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-lathyroside (CHEBI:176248) is a flavonoids (CHEBI:72544)
Quercetin 3-lathyroside (CHEBI:176248) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
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24844771ChemSpider