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CHEBI:65897 - flavaspidic acid AB

Default Structure
ChEBI IDCHEBI:65897
ChEBI Nameflavaspidic acid AB
Stars
DefinitionA polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity.
Last Modified7 November 2013
DownloadsMolfile
FormulaC22H26O8
Net Charge0
Average Mass418.442
Monoisotopic Mass418.16277
SMILESCCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(C)=O)C2=O)c1O
InChIInChI=1S/C22H26O8/c1-6-7-13(24)15-17(26)9(2)16(25)11(18(15)27)8-12-19(28)14(10(3)23)21(30)22(4,5)20(12)29/h25-27,29-30H,6-8H2,1-5H3
InChIKeyXRWVZSPWRNDJNS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Dryopteris crassirhizoma (ncbitaxon:97234) rhizome (BTO:0001181) PubMed (12951487)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
flavaspidic acid AB (CHEBI:65897) has functional parent phloroglucinol (CHEBI:16204)
flavaspidic acid AB (CHEBI:65897) has role antibacterial agent (CHEBI:33282)
flavaspidic acid AB (CHEBI:65897) has role metabolite (CHEBI:25212)
flavaspidic acid AB (CHEBI:65897) is a aromatic ketone (CHEBI:76224)
flavaspidic acid AB (CHEBI:65897) is a methyl ketone (CHEBI:51867)
flavaspidic acid AB (CHEBI:65897) is a polyphenol (CHEBI:26195)
flavaspidic acid AB (CHEBI:65897) is a β-hydroxy ketone (CHEBI:55380)
Manual XrefsDatabases
23275362ChemSpider
Registry NumbersSources
Reaxys:2067974Reaxys
Citations