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CHEBI:67616 - 4'-epichaetoviridin A
| Formula | C23H25ClO6 |
| Net Charge | 0 |
| Average Mass | 432.900 |
| Monoisotopic Mass | 432.13397 |
| SMILES | CC[C@H](C)/C=C/C1=CC2=C(Cl)C(=O)[C@@]3(C)OC(=O)C(C(=O)[C@H](C)[C@@H](C)O)=C3C2=CO1 |
| InChI | InChI=1S/C23H25ClO6/c1-6-11(2)7-8-14-9-15-16(10-29-14)18-17(20(26)12(3)13(4)25)22(28)30-23(18,5)21(27)19(15)24/h7-13,25H,6H2,1-5H3/b8-7+/t11-,12+,13+,23-/m0/s1 |
| InChIKey | HWSQVPGTQUYLEQ-LYUOGRNPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chaetomium globosum (ncbitaxon:38033) | |||
| mycelium (BTO:0001436) | PubMed (21548578) | Endophytic fungus in leaves of Viguiera robusta, EtOAc extract of culture broth and mycelium | |
| - | PubMed (21548578) |
| 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) |
| 4'-epichaetoviridin A (CHEBI:67616) has role Chaetomium metabolite (CHEBI:76960) |
| 4'-epichaetoviridin A (CHEBI:67616) is a azaphilone (CHEBI:50941) |
| 4'-epichaetoviridin A (CHEBI:67616) is a enone (CHEBI:51689) |
| 4'-epichaetoviridin A (CHEBI:67616) is a organic heterotricyclic compound (CHEBI:26979) |
| 4'-epichaetoviridin A (CHEBI:67616) is a organochlorine compound (CHEBI:36683) |
| 4'-epichaetoviridin A (CHEBI:67616) is a secondary alcohol (CHEBI:35681) |
| 4'-epichaetoviridin A (CHEBI:67616) is a β-hydroxy ketone (CHEBI:55380) |
| 4'-epichaetoviridin A (CHEBI:67616) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (6aS)-5-chloro-9-[(2R,3R)-3-hydroxy-2-methylbutanoyl]-6a-methyl-3-[(1E,3S)-3-methylpent-1-en-1-yl]-6H-furo[2,3-h]isochromene-6,8(6aH)-dione |
| Manual Xrefs | Databases |
|---|---|
| 25027080 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21577530 | Reaxys |
| Citations |
|---|