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CHEBI:198023 - Ochroleucin A1
| Formula | C23H14O6 |
| Net Charge | 0 |
| Average Mass | 386.359 |
| Monoisotopic Mass | 386.07904 |
| SMILES | C=C(C)C#CC1=CC(=O)[C@]2(C(=O)Oc3c(C#CC(=C)C)cc(O)c(C=O)c32)C1=O |
| InChI | InChI=1S/C23H14O6/c1-12(2)5-7-14-9-17(25)16(11-24)19-20(14)29-22(28)23(19)18(26)10-15(21(23)27)8-6-13(3)4/h9-11,25H,1,3H2,2,4H3/t23-/m1/s1 |
| InChIKey | VRWZTTOSMQFIQP-HSZRJFAPSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Russula ochroleuca (ncbitaxon:152965) | - | DOI (10.1002/ejoc.200500714) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ochroleucin A1 (CHEBI:198023) is a benzofurans (CHEBI:35259) |
| IUPAC Name |
|---|
| (3S)-5-hydroxy-1',7-bis(3-methylbut-3-en-1-ynyl)-2,3',5'-trioxospiro[1-benzouran-3,4'-cyclopentene]-4-carbaldehyde |
| Manual Xrefs | Databases |
|---|---|
| 78436308 | ChemSpider |