EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H27NO7 |
| Net Charge | 0 |
| Average Mass | 417.458 |
| Monoisotopic Mass | 417.17875 |
| SMILES | C/C=C(/C=C(C)/C=C/C=C/C=C(\C)C(=O)C12OC1C(O)(CCO)NC2=O)C(=O)OC |
| InChI | InChI=1S/C22H27NO7/c1-5-16(18(26)29-4)13-14(2)9-7-6-8-10-15(3)17(25)22-19(30-22)21(28,11-12-24)23-20(22)27/h5-10,13,19,24,28H,11-12H2,1-4H3,(H,23,27)/b8-6+,9-7+,14-13+,15-10+,16-5- |
| InChIKey | OHWILISHWFHITP-TYVLSBBKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl (2Z,3E,5E,7E,9E)-2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate (CHEBI:182252) is a fatty acid ester (CHEBI:35748) |
| IUPAC Name |
|---|
| methyl (2Z,3E,5E,7E,9E)-2-ethylidene-11-[4-hydroxy-4-(2-hydroxyethyl)-2-oxo-6-oxa-3-azabicyclo[3.1.0]hexan-1-yl]-4,10-dimethyl-11-oxoundeca-3,5,7,9-tetraenoate |
| Manual Xrefs | Databases |
|---|---|
| 29814114 | ChemSpider |