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CHEBI:68698 - rotiorinol B
| Formula | C23H28O6 |
| Net Charge | 0 |
| Average Mass | 400.471 |
| Monoisotopic Mass | 400.18859 |
| SMILES | CCC(C)(O)/C=C(C)/C=C/C1=CC2=CC3C(C(C)=O)C(=O)O[C@@]3(C)[C@H](O)C2=CO1 |
| InChI | InChI=1S/C23H28O6/c1-6-22(4,27)11-13(2)7-8-16-9-15-10-18-19(14(3)24)21(26)29-23(18,5)20(25)17(15)12-28-16/h7-12,18-20,25,27H,6H2,1-5H3/b8-7+,13-11+/t18?,19?,20-,22?,23-/m1/s1 |
| InChIKey | YRXFYJLGTKETDE-UZOHKBMQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium cupreum (ncbitaxon:155874) | - | PubMed (16792406) |
| Roles Classification |
|---|
| Biological Roles: | 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 B (CHEBI:68698) has role Chaetomium metabolite (CHEBI:76960) |
| rotiorinol B (CHEBI:68698) is a azaphilone (CHEBI:50941) |
| rotiorinol B (CHEBI:68698) is a methyl ketone (CHEBI:51867) |
| rotiorinol B (CHEBI:68698) is a organic heterotricyclic compound (CHEBI:26979) |
| rotiorinol B (CHEBI:68698) is a tertiary alcohol (CHEBI:26878) |
| rotiorinol B (CHEBI:68698) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (9R,9aR)-3-acetyl-9-hydroxy-6-[(1E,3E)-5-hydroxy-3,5-dimethylhepta-1,3-dien-1-yl]-9a-methyl-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one |
| Synonym | Source |
|---|---|
| 6-acetyl-3-(5-hydroxy-3,5-dimethyl-1E,3E-heptadienyl)-9R-hydroxy-8a(R)-methyl-7H-furo[2,3-g]-2-benzopyran-7-one | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 9727827 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:15840536 | Reaxys |
| Citations |
|---|