CHEBI:188000 - Azaleatin 3-glucoside

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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 Azaleatin 3-glucoside
ChEBI ID CHEBI:188000
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H22O12
Net Charge 0
Average Mass 478.406
Monoisotopic Mass 478.11113
InChI InChI=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
InChIKey HJOBXPHWOUTSLV-VZIAGGLWSA-N
SMILES O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC3=C(C2=O)C(OC)=CC(O)=C3)C4=CC(O)=C(O)C=C4)CO
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24845217 ChemSpider
LMPK12112542 LIPID MAPS
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