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CHEBI:218398 - Diaporthein A
| Formula | C20H30O6 |
| Net Charge | 0 |
| Average Mass | 366.454 |
| Monoisotopic Mass | 366.20424 |
| SMILES | C=C[C@]1(C)C=C2C(O)C3(O)OC[C@@]4(CCCC(C)(C)[C@]34O)[C@@]2(O)[C@H](O)C1 |
| InChI | InChI=1S/C20H30O6/c1-5-16(4)9-12-14(22)19(24)20(25)15(2,3)7-6-8-17(20,11-26-19)18(12,23)13(21)10-16/h5,9,13-14,21-25H,1,6-8,10-11H2,2-4H3/t13-,14?,16-,17+,18+,19?,20-/m1/s1 |
| InChIKey | NKAJJQQELXJQCL-JOBDBGCSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Diaporthe (ncbitaxon:36922) | - | PubMed (12657257) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Diaporthein A (CHEBI:218398) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (1S,2R,3R,5R,10R)-5-ethenyl-5,11,11-trimethyl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadec-6-ene-2,3,8,9,10-pentol |
| Manual Xrefs | Databases |
|---|---|
| 78438157 | ChemSpider |