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CHEBI:168858 - 3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid

ChEBI IDCHEBI:168858
ChEBI Name3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O8S
Net Charge0
Average Mass290.249
Monoisotopic Mass290.00964
SMILESCOc1cc(CC(=O)C(=O)O)ccc1OS(=O)(=O)O
InChIInChI=1S/C10H10O8S/c1-17-9-5-6(4-7(11)10(12)13)2-3-8(9)18-19(14,15)16/h2-3,5H,4H2,1H3,(H,12,13)(H,14,15,16)
InChIKeyDYMIWVZZOIJKLJ-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-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:168858) has functional parent pyruvic acid (CHEBI:32816)
3-[3-methoxy-4-(sulfooxy)phenyl]-2-oxopropanoic acid (CHEBI:168858) is a 2-oxo monocarboxylic acid (CHEBI:35910)
IUPAC Name 
3-(3-methoxy-4-sulooxyphenyl)-2-oxopropanoic acid
Manual XrefsDatabases
74851941ChemSpider
HMDB0126595HMDB