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CHEBI:194561 - 2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one

ChEBI IDCHEBI:194561
ChEBI Name2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O10
Net Charge0
Average Mass434.397
Monoisotopic Mass434.12130
SMILESO=c1c(O)c(-c2ccc(OCCO)c(OCCO)c2)oc2cc(OCCO)cc(O)c12
InChIInChI=1S/C21H22O10/c22-3-6-28-13-10-14(25)18-17(11-13)31-21(20(27)19(18)26)12-1-2-15(29-7-4-23)16(9-12)30-8-5-24/h1-2,9-11,22-25,27H,3-8H2
InChIKeyBYPUSJHQPRFYGB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Macaca fascicularis (ncbitaxon:9541) liver (BTO:0000759) MetaboLights (MTBLS5005)
ChEBI Ontology
Outgoing Relation(s)
2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one (CHEBI:194561) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)chromen-4-one
Manual XrefsDatabases
74854195ChemSpider