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CHEBI:131855 - terretonin
| Formula | C26H32O9 |
| Net Charge | 0 |
| Average Mass | 488.533 |
| Monoisotopic Mass | 488.20463 |
| SMILES | [H][C@]12C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]1(C)C(=C)C[C@]1(O)[C@]2(C)C(=O)C(O)=C2C(C)(C)C(=O)CC[C@]21C |
| InChI | InChI=1S/C26H32O9/c1-12-11-26(33)22(4)10-9-13(27)21(2,3)15(22)14(28)17(29)24(26,6)16-18(30)35-25(7,20(32)34-8)19(31)23(12,16)5/h16,28,33H,1,9-11H2,2-8H3/t16-,22+,23+,24-,25-,26+/m0/s1 |
| InChIKey | CYHGEJACRPDZDP-RSQIKLETSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus terreus NIH2624 (ncbitaxon:341663) | - | PubMed (25671343) | Strain: NIH2624 |
| Roles Classification |
|---|
| Biological Roles: | toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus . 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) |
| terretonin (CHEBI:131855) has role Aspergillus metabolite (CHEBI:76956) |
| terretonin (CHEBI:131855) has role toxin (CHEBI:27026) |
| terretonin (CHEBI:131855) is a cyclic terpene ketone (CHEBI:36130) |
| terretonin (CHEBI:131855) is a enol (CHEBI:33823) |
| terretonin (CHEBI:131855) is a enone (CHEBI:51689) |
| terretonin (CHEBI:131855) is a meroterpenoid (CHEBI:64419) |
| terretonin (CHEBI:131855) is a methyl ester (CHEBI:25248) |
| terretonin (CHEBI:131855) is a organic heterotetracyclic compound (CHEBI:38163) |
| terretonin (CHEBI:131855) is a sesterterpenoid (CHEBI:26660) |
| terretonin (CHEBI:131855) is a terpene lactone (CHEBI:37668) |
| IUPAC Name |
|---|
| methyl (2S,4aS,4bR,10aR,10bR,12aS)-6,10b-dihydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-1,4,4a,4b,5,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-phenanthro[1,2-c]pyran-2-carboxylate |
| UniProt Name | Source |
|---|---|
| terretonin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| HMDB0035860 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:27911362 | Reaxys |
| CAS:71911-90-5 | ChemIDplus |
| Citations |
|---|