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CHEBI:143037 - Quercetin 3-neohesperidoside

ChEBI IDCHEBI:143037
ChEBI NameQuercetin 3-neohesperidoside
Stars
Submittermwilliams
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILES[H][C@@]1(O[C@@]2([H])[C@]([H])(Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)O[C@]([H])(CO)[C@@]([H])(O)[C@]2([H])O)O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
InChIInChI=1S/C27H30O16/c1-8-17(33)20(36)22(38)26(39-8)43-25-21(37)18(34)15(7-28)41-27(25)42-24-19(35)16-13(32)5-10(29)6-14(16)40-23(24)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,25-34,36-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,25+,26-,27-/m0/s1
InChIKeyFYBMGZSDYDNBFX-GXPPAHCZSA-N
Species of MetaboliteComponentSourceComments
Solanum lycopersicum (ncbitaxon:4081) leaf (BTO:0000713) MetaboLights (MTBLS618) Strain: Solanum lycopersicum cv. Santa Cruz Kada
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-neohesperidoside (CHEBI:143037) is a flavonoids (CHEBI:72544)
Quercetin 3-neohesperidoside (CHEBI:143037) is a glycoside (CHEBI:24400)
Citations