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CHEBI:69023 - preaustinoid A
| Formula | C26H36O6 |
| Net Charge | 0 |
| Average Mass | 444.568 |
| Monoisotopic Mass | 444.25119 |
| SMILES | [H][C@@]12C[C@]3(C)C(=C)[C@@](C(=O)OC)(C(=O)[C@@](C)(O)C3=O)[C@@]1(C)CC[C@]1([H])C(C)(C)C(=O)CC[C@@]21C |
| InChI | InChI=1S/C26H36O6/c1-14-23(5)13-16-22(4)11-10-17(27)21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1 |
| InChIKey | IRPHRMHQEPXQQF-RFMSQVAGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium rubrum (ncbitaxon:1266769) | - | PubMed (21916432) | Chloroform extract |
| Roles Classification |
|---|
| 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. Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. 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) |
| preaustinoid A (CHEBI:69023) has role Penicillium metabolite (CHEBI:76964) |
| preaustinoid A (CHEBI:69023) has role antibacterial agent (CHEBI:33282) |
| preaustinoid A (CHEBI:69023) has role metabolite (CHEBI:25212) |
| preaustinoid A (CHEBI:69023) is a carbopolycyclic compound (CHEBI:35294) |
| preaustinoid A (CHEBI:69023) is a carboxylic ester (CHEBI:33308) |
| preaustinoid A (CHEBI:69023) is a cyclic terpene ketone (CHEBI:36130) |
| preaustinoid A (CHEBI:69023) is a meroterpenoid (CHEBI:64419) |
| preaustinoid A (CHEBI:69023) is a tertiary alcohol (CHEBI:26878) |
| preaustinoid A (CHEBI:69023) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| IUPAC Name |
|---|
| methyl (4aS,6aS,7R,9S,11R,12aS,12bS)-9-hydroxy-4,4,6a,9,11,12b-hexamethyl-13-methylidene-3,8,10-trioxotetradecahydro-7,11-methanocycloocta[a]naphthalene-7(2H)-carboxylate |
| UniProt Name | Source |
|---|---|
| preaustinoid A | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:9304223 | Reaxys |
| Citations |
|---|