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CHEBI:188000 - Azaleatin 3-glucoside

ChEBI IDCHEBI:188000
ChEBI NameAzaleatin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H22O12
Net Charge0
Average Mass478.406
Monoisotopic Mass478.11113
SMILESCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO)[C@@H](O)C(O)C3O)c(=O)c12
InChIInChI=1S/C22H22O12/c1-31-12-5-9(24)6-13-15(12)17(28)21(20(32-13)8-2-3-10(25)11(26)4-8)34-22-19(30)18(29)16(27)14(7-23)33-22/h2-6,14,16,18-19,22-27,29-30H,7H2,1H3/t14-,16-,18?,19?,22+/m1/s1
InChIKeyHJOBXPHWOUTSLV-VZIAGGLWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Azaleatin 3-glucoside (CHEBI:188000) is a flavonoids (CHEBI:72544)
Azaleatin 3-glucoside (CHEBI:188000) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-3-[(2S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112542LIPID MAPS
24845217ChemSpider