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CHEBI:169291 - 3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid

ChEBI IDCHEBI:169291
ChEBI Name3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O8S
Net Charge0
Average Mass278.238
Monoisotopic Mass278.00964
SMILESO=C(O)C(Cc1ccc(O)c(O)c1)OS(=O)(=O)O
InChIInChI=1S/C9H10O8S/c10-6-2-1-5(3-7(6)11)4-8(9(12)13)17-18(14,15)16/h1-3,8,10-11H,4H2,(H,12,13)(H,14,15,16)
InChIKeyNVEAHDYLAANZEW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid (CHEBI:169291) is a benzenes (CHEBI:22712)
3-(3,4-dihydroxyphenyl)-2-(sulfooxy)propanoic acid (CHEBI:169291) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
3-(3,4-dihydroxyphenyl)-2-sulooxypropanoic acid
Manual XrefsDatabases
10208704ChemSpider
HMDB0124972HMDB