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CHEBI:64439 - arugosin A (hydroxy-aldehyde form)

ChEBI IDCHEBI:64439
ChEBI Namearugosin A (hydroxy-aldehyde form)
Stars
DefinitionA member of the class of benzophenones that is benzophenone in which one of the phenyl groups is substituted by a 3,3-dimethylallyl group at position 3 and by hydroxy groups at positions 2 and 6, while the other is substituted by a formyl group at position 2, a 3,3-dimethylallyloxy group at position 3, a methyl group at position 4, and a hydroxy group at position 6.
Last Modified30 April 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESCC(C)=CCOc1c(C)cc(O)c(C(=O)c2c(O)ccc(CC=C(C)C)c2O)c1C=O
InChIInChI=1S/C25H28O6/c1-14(2)6-7-17-8-9-19(27)22(23(17)29)24(30)21-18(13-26)25(16(5)12-20(21)28)31-11-10-15(3)4/h6,8-10,12-13,27-29H,7,11H2,1-5H3
InChIKeyQWHCHTQFNUBXEK-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
arugosin A (hydroxy-aldehyde form) (CHEBI:64439) is a aldehyde (CHEBI:17478)
arugosin A (hydroxy-aldehyde form) (CHEBI:64439) is a arugosin A (CHEBI:64440)
arugosin A (hydroxy-aldehyde form) (CHEBI:64439) is a benzophenones (CHEBI:22726)
arugosin A (hydroxy-aldehyde form) (CHEBI:64439) is a phenols (CHEBI:33853)
arugosin A (hydroxy-aldehyde form) (CHEBI:64439) is a resorcinols (CHEBI:33572)
arugosin A (hydroxy-aldehyde form) (CHEBI:64439) is tautomer of arugosin A (lactol form) (CHEBI:64435)
Incoming Relation(s)
arugosin A (lactol form) (CHEBI:64435) is tautomer of arugosin A (hydroxy-aldehyde form) (CHEBI:64439)
IUPAC Name 
2-[2,6-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-3-hydroxy-5-methyl-6-[(3-methylbut-2-en-1-yl)oxy]benzaldehyde
Synonym  Source
arugosin A (ring-opened form)ChEBI