CHEBI:143037 - Quercetin 3-neohesperidoside

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Quercetin 3-neohesperidoside
ChEBI ID CHEBI:143037
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C27H30O16
Net Charge 0
Average Mass 610.519
Monoisotopic Mass 610.15338
InChI InChI=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
InChIKey FYBMGZSDYDNBFX-GXPPAHCZSA-N
SMILES O([C@@]1([C@@](O)([C@](O)([C@](O[C@]1(OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)[H])(CO)[H])[H])[H])[H])[C@@]5(O[C@]([C@@]([C@]([C@]5(O)[H])(O)[H])(O)[H])(C)[H])[H]
Metabolite of Species Details
Solanum lycopersicum (NCBI:txid4081) Found in leaf (BTO:0000713). of strain Solanum lycopersicum cv. Santa Cruz Kada See: MetaboLights Study
ChEBI Ontology
Outgoing Quercetin 3-neohesperidoside (CHEBI:143037) is a flavonoids (CHEBI:72544)
Quercetin 3-neohesperidoside (CHEBI:143037) is a glycoside (CHEBI:24400)
Citation Waiting for Citations Type Source
30558273 PubMed citation SUBMITTER