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CHEBI:9183 - sojagol

ChEBI IDCHEBI:9183
ChEBI Namesojagol
Stars
DefinitionA member of the class of coumestans that is coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10.
Last Modified12 June 2015
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESCC1(C)CCc2c(ccc3c2oc2c4ccc(O)cc4oc(=O)c32)O1
InChIInChI=1S/C20H16O5/c1-20(2)8-7-12-14(25-20)6-5-13-16-18(24-17(12)13)11-4-3-10(21)9-15(11)23-19(16)22/h3-6,9,21H,7-8H2,1-2H3
InChIKeyGSAVLDZAGYKJSO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Glycine max (ncbitaxon:3847) - PubMed (16659156)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
sojagol (CHEBI:9183) has functional parent coumestan (CHEBI:72578)
sojagol (CHEBI:9183) has role plant metabolite (CHEBI:76924)
sojagol (CHEBI:9183) is a coumestans (CHEBI:72577)
sojagol (CHEBI:9183) is a phenols (CHEBI:33853)
sojagol (CHEBI:9183) is a δ-lactone (CHEBI:18946)
IUPAC Name 
10-hydroxy-3,3-dimethyl-2,3-dihydro-1H,7H-pyrano[2',3':6,7][1]benzofuro[3,2-c][1]benzopyran-7-one
Manual XrefsDatabases
C10529KEGG COMPOUND
C00002572KNApSAcK
LMPK12090012LIPID MAPS
HMDB0034027HMDB
Registry NumbersSources
Reaxys:1628647Reaxys
CAS:18979-00-5KEGG COMPOUND
CAS:18979-00-5ChemIDplus
Citations