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CHEBI:67398 - chermesinone C
| Formula | C18H22O6 |
| Net Charge | 0 |
| Average Mass | 334.368 |
| Monoisotopic Mass | 334.14164 |
| SMILES | [H][C@]1(C(=O)[C@@H](C)CC)C(=O)O[C@@]2(C)C(=O)C=C3C=C(C)O[C@H](O)[C@@]3([H])[C@]12[H] |
| InChI | InChI=1S/C18H22O6/c1-5-8(2)15(20)13-14-12-10(6-9(3)23-16(12)21)7-11(19)18(14,4)24-17(13)22/h6-8,12-14,16,21H,5H2,1-4H3/t8-,12+,13-,14+,16-,18-/m0/s1 |
| InChIKey | POKFFFWIOJPOJZ-OADPAQMCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium chermesinum (ncbitaxon:63820) | - | PubMed (21510637) | Ethylacetate extract of endophytic fungus isolated from stem of the mangrove plant Kandelia candel Strain: ZH4 E2 |
| Roles Classification |
|---|
| Biological Roles: | Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. 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) |
| chermesinone C (CHEBI:67398) has role Penicillium metabolite (CHEBI:76964) |
| chermesinone C (CHEBI:67398) is a azaphilone (CHEBI:50941) |
| chermesinone C (CHEBI:67398) is a enone (CHEBI:51689) |
| chermesinone C (CHEBI:67398) is a organic heterotricyclic compound (CHEBI:26979) |
| chermesinone C (CHEBI:67398) is a secondary alcohol (CHEBI:35681) |
| chermesinone C (CHEBI:67398) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| rel-(1S,6aR,9S,9aR,9bS)-1-hydroxy-3,6a-dimethyl-9-[(2S)-2-methylbutanoyl]-9a,9b-dihydro-1H-furo[2,3-h]isochromene-6,8(6aH,9H)-dione |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21548621 | Reaxys |
| Citations |
|---|