EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185222 - 6-[3-(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185222
ChEBI Name6-[3-(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H46O19
Net Charge0
Average Mass962.910
Monoisotopic Mass962.26333
SMILESO=C(O)C1OC(Oc2cccc(C3Oc4cc(O)ccc4C(c4c(O)c5c(c(C6c7ccc(O)cc7OC(c7cccc(O)c7)C6O)c4O)OC(c4cccc(O)c4)C(O)C5)C3O)c2)C(O)C(O)C1O
InChIInChI=1S/C51H46O19/c52-23-7-1-4-20(14-23)45-31(56)19-30-38(57)36(39(58)37(48(30)69-45)35-29-13-11-26(55)18-33(29)67-46(41(35)60)21-5-2-8-24(53)15-21)34-28-12-10-25(54)17-32(28)68-47(40(34)59)22-6-3-9-27(16-22)66-51-44(63)42(61)43(62)49(70-51)50(64)65/h1-18,31,34-35,40-47,49,51-63H,19H2,(H,64,65)
InChIKeyWJKFYEQLWLRQLJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
6-[3-(4-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-6-yl}-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185222) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
6-[3-[4-[8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-6-yl]-3,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135054HMDB