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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 18:01:05 UTC
Update Date2023-02-21 17:23:15 UTC
HMDB IDHMDB0033303
Secondary Accession Numbers
  • HMDB33303
Metabolite Identification
Common NameAnofinic acid
DescriptionAnofinic acid, also known as anofinate, belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. Anofinic acid has been detected, but not quantified in, a few different foods, such as common mushrooms (Agaricus bisporus), mushrooms, and oyster mushrooms (Pleurotus ostreatus). This could make anofinic acid a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Anofinic acid.
Structure
Thumb
Synonyms
ValueSource
AnofinateGenerator
1-Hydroxy-3',3'-dimethylchromeneHMDB
2,2-Dimethyl-6-chromenecarboxylic acidHMDB
2,2-Dimethyl-2H-chromene-6-carboxylateGenerator
2,2-Dimethyl-2H-1-benzopyran-6-carboxylic acidPhytoBank
2,2-Dimethyl-(2H)-1-chromene-6-carboxylic acidPhytoBank
2,2-Dimethylchromene-6-carboxylic acidPhytoBank
1-Hydroxy-3’,3’-dimethylchromenePhytoBank
Chemical FormulaC12H12O3
Average Molecular Weight204.2219
Monoisotopic Molecular Weight204.07864425
IUPAC Name2,2-dimethyl-2H-chromene-6-carboxylic acid
Traditional Name2,2-dimethylchromene-6-carboxylic acid
CAS Registry Number34818-56-9
SMILES
CC1(C)OC2=CC=C(C=C2C=C1)C(O)=O
InChI Identifier
InChI=1S/C12H12O3/c1-12(2)6-5-8-7-9(11(13)14)3-4-10(8)15-12/h3-7H,1-2H3,(H,13,14)
InChI KeyAXICIBPYBONRSP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzopyrans
Sub Class1-benzopyrans
Direct Parent2,2-dimethyl-1-benzopyrans
Alternative Parents
Substituents
  • 2,2-dimethyl-1-benzopyran
  • Alkyl aryl ether
  • Benzenoid
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Ether
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point160 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB011327
KNApSAcK IDC00029692
Chemspider ID4477586
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5319235
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .