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CHEBI:180800 - 6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:180800
ChEBI Name6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H34O16
Net Charge0
Average Mass722.652
Monoisotopic Mass722.18469
SMILESO=C(O)C1OC(Oc2cc(O)c3c(c2C2c4ccc(O)cc4OC(c4cccc(O)c4)C2O)OC(c2ccc(O)c(O)c2)C(O)C3)C(O)C(O)C1O
InChIInChI=1S/C36H34O16/c37-15-3-1-2-13(8-15)32-27(43)25(17-6-5-16(38)10-23(17)49-32)26-24(50-36-30(46)28(44)29(45)34(52-36)35(47)48)12-20(40)18-11-22(42)31(51-33(18)26)14-4-7-19(39)21(41)9-14/h1-10,12,22,25,27-32,34,36-46H,11H2,(H,47,48)
InChIKeyUXCVFZPWYWJMRX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2150)
ChEBI Ontology
Outgoing Relation(s)
6-({8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:180800) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
6-[[8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135093HMDB