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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:37:01 UTC
Update Date2022-03-07 02:52:34 UTC
HMDB IDHMDB0030475
Secondary Accession Numbers
  • HMDB30475
Metabolite Identification
Common NameAflatoxin G2
DescriptionAflatoxin G2 belongs to the class of organic compounds known as difurocoumarolactones. These are polycyclic aromatic compounds containing a delta-valerolactone ring fused to the coumarin moiety of the difurocoumarin skeleton. Based on a literature review a significant number of articles have been published on Aflatoxin G2.
Structure
Thumb
Synonyms
ValueSource
Dihydroaflatoxin g1HMDB
Chemical FormulaC17H14O7
Average Molecular Weight330.2889
Monoisotopic Molecular Weight330.073952802
IUPAC Name11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹³,¹⁸]icosa-1(12),2(9),10,13(18)-tetraene-17,19-dione
Traditional Nameaflatoxin G2
CAS Registry Number7241-98-7
SMILES
COC1=CC2=C(C3CCOC3O2)C2=C1C1=C(C(=O)OCC1)C(=O)O2
InChI Identifier
InChI=1S/C17H14O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h6,8,17H,2-5H2,1H3
InChI KeyWPCVRWVBBXIRMA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as difurocoumarolactones. These are polycyclic aromatic compounds containing a delta-valerolactone ring fused to the coumarin moiety of the difurocoumarin skeleton.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassCoumarins and derivatives
Sub ClassFuranocoumarins
Direct ParentDifurocoumarolactones
Alternative Parents
Substituents
  • Difurocoumarolactone
  • Difurocoumarin
  • Benzopyran
  • 1-benzopyran
  • Coumaran
  • Anisole
  • Alkyl aryl ether
  • Pyranone
  • Benzenoid
  • Pyran
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Carboxylic acid ester
  • Lactone
  • Acetal
  • Carboxylic acid derivative
  • Oxacycle
  • Organoheterocyclic compound
  • Ether
  • Monocarboxylic acid or derivatives
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point237 - 240 °CNot Available
Boiling Point602.50 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility2009 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.443 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB002344
KNApSAcK IDC00023619
Chemspider ID22132
KEGG Compound IDC16754
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound23670
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1216391
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.. .