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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:31:50 UTC
Update Date2022-03-07 02:52:14 UTC
HMDB IDHMDB0029655
Secondary Accession Numbers
  • HMDB29655
Metabolite Identification
Common NameErinacine G
DescriptionErinacine G belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds. Erinacine G 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 erinacine g a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Erinacine G.
Structure
Data?1582753447
SynonymsNot Available
Chemical FormulaC25H36O8
Average Molecular Weight464.5485
Monoisotopic Molecular Weight464.241018128
IUPAC Name1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0⁴,¹⁷.0⁶,¹⁶.0⁷,¹²]nonadec-14-en-11-one
Traditional Name1,17,18,19-tetrahydroxy-7,10-dimethyl-10-(4-methyl-3-oxopentyl)-3,5-dioxapentacyclo[13.3.1.0⁴,¹⁷.0⁶,¹⁶.0⁷,¹²]nonadec-14-en-11-one
CAS Registry Number182927-59-9
SMILES
CC(C)C(=O)CCC1(C)CCC2(C)C3OC4OCC5(O)C(O)C(=CCC2C1=O)C3C4(O)C5O
InChI Identifier
InChI=1S/C25H36O8/c1-12(2)15(26)7-8-22(3)9-10-23(4)14(18(22)28)6-5-13-16-19(23)33-21-25(16,31)20(29)24(30,11-32-21)17(13)27/h5,12,14,16-17,19-21,27,29-31H,6-11H2,1-4H3
InChI KeyHVLLJUVTXKLMKW-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as furopyrans. These are organic polycyclic compounds containing a furan ring fused to a pyran ring. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassFuropyrans
Sub ClassNot Available
Direct ParentFuropyrans
Alternative Parents
Substituents
  • Furopyran
  • Monosaccharide
  • Oxane
  • Pyran
  • Cyclic alcohol
  • Furan
  • Tertiary alcohol
  • Tetrahydrofuran
  • Ketone
  • Secondary alcohol
  • Polyol
  • Acetal
  • Oxacycle
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Carbonyl group
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot 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
  • Cytoplasm
  • Extracellular
  • 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 IDFDB000829
KNApSAcK IDNot Available
Chemspider ID8727483
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85182202
PDB IDNot Available
ChEBI ID175660
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.. .