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CHEBI:201312 - Sporovexin A

ChEBI IDCHEBI:201312
ChEBI NameSporovexin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESC[C@@H](CCOc1ccc(C(=O)O)cc1)C(=O)O
InChIInChI=1S/C12H14O5/c1-8(11(13)14)6-7-17-10-4-2-9(3-5-10)12(15)16/h2-5,8H,6-7H2,1H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyNXKQNSVRERFPAM-QMMMGPOBSA-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 A (CHEBI:201312) is a benzoic acids (CHEBI:22723)
IUPAC Name 
4-(3-carboxybutoxy)benzoic acid
Manual XrefsDatabases
417689ChemSpider