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CHEBI:68934 - (±)-chartaceone B

ChEBI IDCHEBI:68934
ChEBI Name(±)-chartaceone B
Stars
ASCII Name(+-)-chartaceone B
DefinitionA dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a 6-carboxy-1-phenylhex-1-en-1-yl group at position 6. It has been isolated as a racemate from the bark of Cryptocarya chartacea.
Last Modified9 January 2014
DownloadsMolfile
FormulaC28H26O6
Net Charge0
Average Mass458.510
Monoisotopic Mass458.17294
SMILESO=C(O)CCC/C=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)19-12-6-2-7-13-19)28(33)26(21)20(18-10-4-1-5-11-18)14-8-3-9-15-25(31)32/h1-2,4-8,10-14,17,20,23,29,33H,3,9,15-16H2,(H,31,32)/b14-8+
InChIKeyJHLIRXZGNHHBHX-RIYZIHGNSA-N
Species of MetaboliteComponentSourceComments
Cryptocarya chartacea (IPNI:895985-1) trunk bark (BTO:0001494) PubMed (22050318) Ethyl acetate extract of air-dried and powdered trunk bark
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 B (CHEBI:68934) has role plant metabolite (CHEBI:76924)
(±)-chartaceone B (CHEBI:68934) is a dihydroxyflavanone (CHEBI:38749)
(±)-chartaceone B (CHEBI:68934) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
rac-(5E)-7-(5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-6-yl)-7-phenylhept-5-enoic acid
Registry NumbersSources
Reaxys:22123620Reaxys
Citations