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CHEBI:213905 - Tricycloalternarene Y
| Formula | C21H30O4 |
| Net Charge | 0 |
| Average Mass | 346.467 |
| Monoisotopic Mass | 346.21441 |
| SMILES | CC(C)=CCC/C(C)=C/[C@H]1C[C@@]2(C)OC3=C(C[C@H]2O1)C(=O)[C@H](O)CC3 |
| InChI | InChI=1S/C21H30O4/c1-13(2)6-5-7-14(3)10-15-12-21(4)19(24-15)11-16-18(25-21)9-8-17(22)20(16)23/h6,10,15,17,19,22H,5,7-9,11-12H2,1-4H3/b14-10+/t15-,17+,19+,21+/m0/s1 |
| InChIKey | PNJLSANZWOZLPQ-RCEUOUHISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neofusicoccum laricinum (ncbitaxon:121618) | - | PubMed (32330576) | |
| Alternariaspecies (ncbitaxon:1715220) | - | PubMed (32372483) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Tricycloalternarene Y (CHEBI:213905) is a furopyran (CHEBI:74927) |
| IUPAC Names |
|---|
| (2R,3aR,7R,9aR)-2-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7-hydroxy-3a-methyl-3,5,6,7,9,9a-hexahydro-2H-uro[3,2-b]chromen-8-one |
| (1R,3aR,7R,9aS)-1,7-dihydroxy-3a-methyl-1-[(2R)-6-methylhept-5-en-2-yl]-3,5,6,7,9,9a-hexahydro-2H-cyclopenta[b]chromen-8-one |
| Manual Xrefs | Databases |
|---|---|
| 86596099 | ChemSpider |