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CHEBI:200346 - [(1S,14S)-5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate
| Formula | C28H22N2O10 |
| Net Charge | 0 |
| Average Mass | 546.488 |
| Monoisotopic Mass | 546.12744 |
| SMILES | COc1ccc(C=O)cc1Oc1cc(C(=O)O[C@H]2C=COC=C3C=C4C(=O)N(C)C(=O)C(=O)N4[C@@H]32)ccc1OC |
| InChI | InChI=1S/C28H22N2O10/c1-29-25(32)18-11-17-14-38-9-8-21(24(17)30(18)27(34)26(29)33)40-28(35)16-5-7-20(37-3)23(12-16)39-22-10-15(13-31)4-6-19(22)36-2/h4-14,21,24H,1-3H3/t21-,24-/m0/s1 |
| InChIKey | KYKYRYZPDMZPHY-URXFXBBRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cladorrhinum (ncbitaxon:223374) | - | PubMed (15496109) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(1S,14S)-5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate (CHEBI:200346) is a aromatic ether (CHEBI:35618) |
| IUPAC Name |
|---|
| [(1S,14S)-5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.02,7]tetradeca-7,9,12-trien-14-yl] 3-(5-ormyl-2-methoxyphenoxy)-4-methoxybenzoate |
| Manual Xrefs | Databases |
|---|---|
| 76768090 | ChemSpider |