CHEBI:189427 - Quercitrin Hydrate

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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 Quercitrin Hydrate
ChEBI ID CHEBI:189427
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H20O11.H2O
Net Charge 0
Average Mass 466.395
Monoisotopic Mass 466.11113
InChI InChI=1S/C21H20O11.H2O/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8;/h2-7,15,17-18,21-26,28-29H,1H3;1H2/t7-,15-,17+,18+,21-;/m0./s1
InChIKey UGZLJOKGLBVBHF-IKGPWECESA-N
SMILES O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C.O
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in guard cell (BTO:0000544). See: MetaboLights Study
ChEBI Ontology
Outgoing Quercitrin Hydrate (CHEBI:189427) is a flavonoids (CHEBI:72544)
Quercitrin Hydrate (CHEBI:189427) is a glycoside (CHEBI:24400)
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one;hydrate
Manual Xref Database
17347236 ChemSpider
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