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CHEBI:213938 - Sporovexin B

ChEBI IDCHEBI:213938
ChEBI NameSporovexin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O6
Net Charge0
Average Mass254.238
Monoisotopic Mass254.07904
SMILESCC(C(=O)O)C(O)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C12H14O6/c1-7(11(14)15)10(13)6-18-9-4-2-8(3-5-9)12(16)17/h2-5,7,10,13H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyZWLHAEAWGFIHEL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sporormiella vexans (ncbitaxon:718248) - PubMed (10217738)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Sporovexin B (CHEBI:213938) is a benzoic acids (CHEBI:22723)
IUPAC Name 
4-(3-carboxy-2-hydroxybutoxy)benzoic acid
Manual XrefsDatabases
417690ChemSpider