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CHEBI:217524 - Acremonisol A

ChEBI IDCHEBI:217524
ChEBI NameAcremonisol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15ClO4
Net Charge0
Average Mass258.701
Monoisotopic Mass258.06589
SMILESCCCc1c(Cl)c(OC)cc(OC)c1C(=O)O
InChIInChI=1S/C12H15ClO4/c1-4-5-7-10(12(14)15)8(16-2)6-9(17-3)11(7)13/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyMEDZQTPQXJJSOI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acremoniumspecies (ncbitaxon:2046025) - PubMed (18197603)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Acremonisol A (CHEBI:217524) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
3-chloro-4,6-dimethoxy-2-propylbenzoic acid
Manual XrefsDatabases
27023198ChemSpider