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CHEBI:186473 - 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-4-methyl-6-(2,4,5-trihydroxyphenyl)cyclohex-3-ene-1-carboxylic acid

ChEBI IDCHEBI:186473
ChEBI Name2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-4-methyl-6-(2,4,5-trihydroxyphenyl)cyclohex-3-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H32O9
Net Charge0
Average Mass572.610
Monoisotopic Mass572.20463
SMILESCC(C)=CCc1c(O)ccc2cc(-c3cc(O)c(C4C=C(C)CC(c5cc(O)c(O)cc5O)C4C(=O)O)c(O)c3)oc12
InChIInChI=1S/C33H32O9/c1-15(2)4-6-19-23(34)7-5-17-12-29(42-32(17)19)18-10-27(38)31(28(39)11-18)22-9-16(3)8-21(30(22)33(40)41)20-13-25(36)26(37)14-24(20)35/h4-5,7,9-14,21-22,30,34-39H,6,8H2,1-3H3,(H,40,41)
InChIKeyAPOAUMSKFSHYGA-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)
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-4-methyl-6-(2,4,5-trihydroxyphenyl)cyclohex-3-ene-1-carboxylic acid (CHEBI:186473) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzouran-2-yl]phenyl]-4-methyl-6-(2,4,5-trihydroxyphenyl)cyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
HMDB0126159HMDB