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CHEBI:190743 - 6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid

ChEBI IDCHEBI:190743
ChEBI Name6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCC1=CC(c2c(O)cccc2O)C(C(=O)O)C(O)(c2ccc(O)cc2O)C1
InChIInChI=1S/C20H20O7/c1-10-7-12(17-14(22)3-2-4-15(17)23)18(19(25)26)20(27,9-10)13-6-5-11(21)8-16(13)24/h2-8,12,18,21-24,27H,9H2,1H3,(H,25,26)
InChIKeyNJSWAMFGWCSXPA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid (CHEBI:190743) is a resorcinols (CHEBI:33572)
IUPAC Name 
6-(2,4-dihydroxyphenyl)-2-(2,6-dihydroxyphenyl)-6-hydroxy-4-methylcyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
HMDB0126477HMDB
74886636ChemSpider