EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76572 - chartaceone A

ChEBI IDCHEBI:76572
ChEBI Namechartaceone A
Stars
DefinitionA dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-3-yl group at position 6.
Last Modified9 January 2014
Submitternamrata
DownloadsMolfile
FormulaC28H26O6
Net Charge0
Average Mass458.510
Monoisotopic Mass458.17294
SMILESO=C(O)CCCC(/C=C/c1ccccc1)c1c(O)cc2c(c1O)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C28H26O6/c29-21-17-24-27(22(30)16-23(34-24)19-10-5-2-6-11-19)28(33)26(21)20(12-7-13-25(31)32)15-14-18-8-3-1-4-9-18/h1-6,8-11,14-15,17,20,23,29,33H,7,12-13,16H2,(H,31,32)/b15-14+
InChIKeySBOVSSLXUHHHLZ-CCEZHUSRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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)
chartaceone A (CHEBI:76572) has role plant metabolite (CHEBI:76924)
chartaceone A (CHEBI:76572) is a dihydroxyflavanone (CHEBI:38749)
chartaceone A (CHEBI:76572) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
chartaceone A1 (CHEBI:76573) is a chartaceone A (CHEBI:76572)
chartaceone A2 (CHEBI:76574) is a chartaceone A (CHEBI:76572)
chartaceone A3 (CHEBI:76588) is a chartaceone A (CHEBI:76572)
chartaceone A4 (CHEBI:76589) is a chartaceone A (CHEBI:76572)