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CHEBI:184358 - 6-(4-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184358
ChEBI Name6-(4-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H30O17
Net Charge0
Average Mass734.619
Monoisotopic Mass734.14830
SMILESO=C1CC(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)c(O)c2)Oc2c1c(O)cc(O)c2C1C(=O)c2c(O)cc(O)cc2OC1c1ccc(O)cc1
InChIInChI=1S/C36H30O17/c37-14-4-1-12(2-5-14)32-27(28(44)25-17(40)8-15(38)9-23(25)51-32)26-19(42)10-18(41)24-20(43)11-22(50-33(24)26)13-3-6-21(16(39)7-13)52-36-31(47)29(45)30(46)34(53-36)35(48)49/h1-10,22,27,29-32,34,36-42,45-47H,11H2,(H,48,49)
InChIKeyVDRLUVBHYULGDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
6-(4-{8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl}-2-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184358) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
6-[4-[8-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0129212HMDB