EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187688 - 5,7-dihydroxy-3-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one

ChEBI IDCHEBI:187688
ChEBI Name5,7-dihydroxy-3-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H34O16
Net Charge0
Average Mass734.663
Monoisotopic Mass734.18469
SMILESCOc1cc(C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)c(C4C(=O)c5c(O)cc(O)cc5OC4c4ccc(O)cc4)c3O2)ccc1O
InChIInChI=1S/C37H34O16/c1-49-23-8-15(4-7-18(23)41)22-11-20(43)27-21(44)12-25(52-37-34(48)33(47)31(45)26(13-38)53-37)29(36(27)50-22)30-32(46)28-19(42)9-17(40)10-24(28)51-35(30)14-2-5-16(39)6-3-14/h2-10,12,22,26,30-31,33-35,37-42,44-45,47-48H,11,13H2,1H3
InChIKeyANUITWUAQRKHEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,7-dihydroxy-3-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-8-yl]-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one (CHEBI:187688) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
Manual XrefsDatabases
HMDB0129210HMDB