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CHEBI:185179 - 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-5-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid

ChEBI IDCHEBI:185179
ChEBI Name2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-5-hydroxy-4-methylcyclohex-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)C(O)C(c5ccc(O)cc5O)C4C(=O)O)c(O)c3)oc12
InChIInChI=1S/C33H32O9/c1-15(2)4-7-21-23(35)9-5-17-13-27(42-32(17)21)18-11-25(37)28(26(38)12-18)22-10-16(3)31(39)29(30(22)33(40)41)20-8-6-19(34)14-24(20)36/h4-6,8-14,22,29-31,34-39H,7H2,1-3H3,(H,40,41)
InChIKeyWOAKWOPNBVFIOL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-5-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid (CHEBI:185179) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-enyl)-1-benzouran-2-yl]phenyl]-6-(2,4-dihydroxyphenyl)-5-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
74886544ChemSpider
HMDB0126152HMDB