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CHEBI:184846 - 8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

ChEBI IDCHEBI:184846
ChEBI Name8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O9
Net Charge0
Average Mass532.545
Monoisotopic Mass532.17333
SMILESOc1cccc(CC(O)C(c2ccc(O)cc2O)c2c(O)cc(O)c3c2OC(c2cccc(O)c2)C(O)C3)c1
InChIInChI=1S/C30H28O9/c31-17-5-1-3-15(9-17)10-24(36)27(20-8-7-19(33)12-22(20)34)28-25(37)14-23(35)21-13-26(38)29(39-30(21)28)16-4-2-6-18(32)11-16/h1-9,11-12,14,24,26-27,29,31-38H,10,13H2
InChIKeyHLFVQMCHVONVLR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (CHEBI:184846) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
HMDB0135067HMDB