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CHEBI:189427 - Quercitrin Hydrate

ChEBI IDCHEBI:189427
ChEBI NameQuercitrin Hydrate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O11.H2O
Net Charge0
Average Mass466.395
Monoisotopic Mass466.11113
SMILESC[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O.O
InChIInChI=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
InChIKeyUGZLJOKGLBVBHF-IKGPWECESA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) guard cell (BTO:0000544) MetaboLights (MTBLS1326)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
17347236ChemSpider