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CHEBI:169392 - [2-hydroxy-3-(phenoxycarbonyl)phenyl]oxidanesulfonic acid

Default Structure
ChEBI IDCHEBI:169392
ChEBI Name[2-hydroxy-3-(phenoxycarbonyl)phenyl]oxidanesulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10O7S
Net Charge0
Average Mass310.283
Monoisotopic Mass310.01472
SMILESO=C(Oc1ccccc1)c1cccc(OS(=O)(=O)O)c1O
InChIInChI=1S/C13H10O7S/c14-12-10(7-4-8-11(12)20-21(16,17)18)13(15)19-9-5-2-1-3-6-9/h1-8,14H,(H,16,17,18)
InChIKeyKCYAWGJMFNAECR-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-hydroxy-3-(phenoxycarbonyl)phenyl]oxidanesulfonic acid (CHEBI:169392) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
phenyl 2-hydroxy-3-sulooxybenzoate
Manual XrefsDatabases
74853745ChemSpider
HMDB0135171HMDB