CHEBI:76588 - chartaceone A3

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ChEBI Name chartaceone A3
ChEBI ID CHEBI:76588
Definition A chartaceone A with 2S, 5ʼʼR-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H26O6
Net Charge 0
Average Mass 458.50240
Monoisotopic Mass 458.17294
InChI InChI=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+/t20-,23+/m1/s1
InChIKey SBOVSSLXUHHHLZ-MRHSSXLISA-N
SMILES OC(=O)CCC[C@H](\C=C\c1ccccc1)c1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via chartaceone A )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chartaceone A3 (CHEBI:76588) is a chartaceone A (CHEBI:76572)
Incoming (±)-chartaceone A (CHEBI:68933) has part chartaceone A3 (CHEBI:76588)
IUPAC Name
(5R,6E)-5-[(2S)-5,7-dihydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-6-yl]-7-phenylhept-6-enoic acid
Registry Number Type Source
22123621 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22050318 PubMed citation Europe PMC
Last Modified
05 December 2013