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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: | 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. 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 |
|---|