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CHEBI:180705 - [(4-{3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl}-2-methylbut-2-en-1-yl)oxy]sulfonic acid

ChEBI IDCHEBI:180705
ChEBI Name[(4-{3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl}-2-methylbut-2-en-1-yl)oxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O10S
Net Charge0
Average Mass454.453
Monoisotopic Mass454.09337
SMILESCOc1c(C/C=C(\C)COS(=O)(=O)O)c(O)cc(O)c1CC(=O)c1ccc(O)cc1O
InChIInChI=1S/C20H22O10S/c1-11(10-30-31(26,27)28)3-5-14-18(24)9-19(25)15(20(14)29-2)8-17(23)13-6-4-12(21)7-16(13)22/h3-4,6-7,9,21-22,24-25H,5,8,10H2,1-2H3,(H,26,27,28)/b11-3+
InChIKeyCVZLMWUGDKTCKH-QDEBKDIKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
[(4-{3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl}-2-methylbut-2-en-1-yl)oxy]sulfonic acid (CHEBI:180705) is a stilbenoid (CHEBI:26776)
IUPAC Name 
[(E)-4-[3-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]-4,6-dihydroxy-2-methoxyphenyl]-2-methylbut-2-enyl] hydrogen sulate
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74851723ChemSpider