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CHEBI:168332 - 2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxyacetic acid

ChEBI IDCHEBI:168332
ChEBI Name2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxyacetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCC(C)=CCc1c(O)ccc(C(O)C(=O)O)c1O
InChIInChI=1S/C13H16O5/c1-7(2)3-4-8-10(14)6-5-9(11(8)15)12(16)13(17)18/h3,5-6,12,14-16H,4H2,1-2H3,(H,17,18)
InChIKeyDXWQLQYAZXDPDF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-hydroxyacetic acid (CHEBI:168332) is a resorcinols (CHEBI:33572)
IUPAC Name 
2-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-2-hydroxyacetic acid
Manual XrefsDatabases
74854058ChemSpider
HMDB0137142HMDB