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CHEBI:200408 - methyl phomopsenonate
| Formula | C21H30O3 |
| Net Charge | 0 |
| Average Mass | 330.468 |
| Monoisotopic Mass | 330.21949 |
| SMILES | COC(=O)[C@H]1CCC2=C(C)C(=O)C[C@H]3[C@@H]4C(C)(C)CC[C@]4(C)C[C@]213 |
| InChI | InChI=1S/C21H30O3/c1-12-13-6-7-14(18(23)24-5)21(13)11-20(4)9-8-19(2,3)17(20)15(21)10-16(12)22/h14-15,17H,6-11H2,1-5H3/t14-,15+,17-,20-,21+/m1/s1 |
| InChIKey | PYIWJULOBQCXEN-ZCTIPADRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phomopsis (ncbitaxon:34399) | - | PubMed (19161275) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl phomopsenonate (CHEBI:200408) is a iridoid monoterpenoid (CHEBI:50563) |
| IUPAC Name |
|---|
| methyl (1R,2S,9S,10R,14R)-6,11,11,14-tetramethyl-7-oxotetracyclo[7.6.0.01,5.010,14]pentadec-5-ene-2-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 28286050 | ChemSpider |