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CHEBI:168460 - 3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

ChEBI IDCHEBI:168460
ChEBI Name3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O10
Net Charge0
Average Mass420.370
Monoisotopic Mass420.10565
SMILESO=C1c2c(O)cc(O)cc2OC(c2cccc(O)c2)C1OC1OC(CO)C(O)C1O
InChIInChI=1S/C20H20O10/c21-7-13-15(25)17(27)20(29-13)30-19-16(26)14-11(24)5-10(23)6-12(14)28-18(19)8-2-1-3-9(22)4-8/h1-6,13,15,17-25,27H,7H2
InChIKeyDIKMWUAYBCDEIJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:168460) is a flavonoids (CHEBI:72544)
3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:168460) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
HMDB0132723HMDB