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CHEBI:68785 - rotiorinol A
| Formula | C23H26O5 |
| Net Charge | 0 |
| Average Mass | 382.456 |
| Monoisotopic Mass | 382.17802 |
| SMILES | CC[C@H](C)/C=C(C)/C=C/C1=CC2=CC3=C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1 |
| InChI | InChI=1S/C23H26O5/c1-6-13(2)9-14(3)7-8-17-10-16-11-19-20(15(4)24)22(26)28-23(19,5)21(25)18(16)12-27-17/h7-13,21,25H,6H2,1-5H3/b8-7+,14-9+/t13-,21+,23+/m0/s1 |
| InChIKey | QXVIQXFZWZQGMX-CBNFSBMOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium cupreum (ncbitaxon:155874) | - | PubMed (16792406) |
| Roles Classification |
|---|
| Biological Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. Chaetomium metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Chaetomium. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rotiorinol A (CHEBI:68785) has role Chaetomium metabolite (CHEBI:76960) |
| rotiorinol A (CHEBI:68785) has role antifungal agent (CHEBI:35718) |
| rotiorinol A (CHEBI:68785) is a azaphilone (CHEBI:50941) |
| rotiorinol A (CHEBI:68785) is a methyl ketone (CHEBI:51867) |
| rotiorinol A (CHEBI:68785) is a organic heterotricyclic compound (CHEBI:26979) |
| rotiorinol A (CHEBI:68785) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (9R,9aR)-3-acetyl-6-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dien-1-yl]-9-hydroxy-9a-methyl-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one |
| Synonym | Source |
|---|---|
| 6-acetyl-3-(3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:15840535 | Reaxys |
| Citations |
|---|