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CHEBI:185396 - 3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:185396
ChEBI Name3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H34O15
Net Charge0
Average Mass706.653
Monoisotopic Mass706.18977
SMILESO=C(O)C1OC(Oc2ccc3c(c2)OC(c2cccc(O)c2)C(O)C3c2c(O)cc(O)c3c2OC(c2cccc(O)c2)C(O)C3)C(O)C(O)C1O
InChIInChI=1S/C36H34O15/c37-16-5-1-3-14(9-16)31-23(41)12-20-21(39)13-22(40)26(33(20)50-31)25-19-8-7-18(48-36-30(45)28(43)29(44)34(51-36)35(46)47)11-24(19)49-32(27(25)42)15-4-2-6-17(38)10-15/h1-11,13,23,25,27-32,34,36-45H,12H2,(H,46,47)
InChIKeyYNFWWLNIQRIDND-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-8-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid (CHEBI:185396) is a flavonoid oligomer (CHEBI:72720)
IUPAC Name 
3,4,5-trihydroxy-6-[[3-hydroxy-2-(3-hydroxyphenyl)-4-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0135134HMDB