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CHEBI:65898 - flavaspidic acid PB
| Formula | C23H28O8 |
| Net Charge | 0 |
| Average Mass | 432.469 |
| Monoisotopic Mass | 432.17842 |
| SMILES | CCCC(=O)c1c(O)c(C)c(O)c(CC2=C(O)C(C)(C)C(O)=C(C(=O)CC)C2=O)c1O |
| InChI | InChI=1S/C23H28O8/c1-6-8-14(25)15-18(27)10(3)17(26)11(19(15)28)9-12-20(29)16(13(24)7-2)22(31)23(4,5)21(12)30/h26-28,30-31H,6-9H2,1-5H3 |
| InChIKey | NGODKUCEKYYIFN-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Dryopteris crassirhizoma (ncbitaxon:97234) | rhizome (BTO:0001181) | PubMed (12951487) |
| Roles Classification |
|---|
| Chemical Role: | radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. |
| Biological Roles: | antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. 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) |
| flavaspidic acid PB (CHEBI:65898) has functional parent phloroglucinol (CHEBI:16204) |
| flavaspidic acid PB (CHEBI:65898) has role antibacterial agent (CHEBI:33282) |
| flavaspidic acid PB (CHEBI:65898) has role metabolite (CHEBI:25212) |
| flavaspidic acid PB (CHEBI:65898) has role radical scavenger (CHEBI:48578) |
| flavaspidic acid PB (CHEBI:65898) is a aromatic ketone (CHEBI:76224) |
| flavaspidic acid PB (CHEBI:65898) is a polyphenol (CHEBI:26195) |
| flavaspidic acid PB (CHEBI:65898) is a β-hydroxy ketone (CHEBI:55380) |
| IUPAC Name |
|---|
| 2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-6-propionylcyclohexa-2,5-dien-1-one |
| Manual Xrefs | Databases |
|---|---|
| 23275363 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2684769 | Reaxys |
| Citations |
|---|