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CHEBI:224053 - CJ-15,183
| Formula | C28H38O13 |
| Net Charge | 0 |
| Average Mass | 582.599 |
| Monoisotopic Mass | 582.23124 |
| SMILES | CCCCC/C=C\C/C=C\CC/C=C/C1CC(C(O)(CC(=O)O)C(=O)OC(C(=O)O)C(CC(=O)O)C(=O)O)C(=O)O1 |
| InChI | InChI=1S/C28H38O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-20(26(37)40-18)28(39,17-22(31)32)27(38)41-23(25(35)36)19(24(33)34)16-21(29)30/h6-7,9-10,13-14,18-20,23,39H,2-5,8,11-12,15-17H2,1H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/b7-6-,10-9-,14-13+ |
| InChIKey | SCNKZRBYVALSHS-OXXZWVFOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus aculeatus (ncbitaxon:5053) | - | PubMed (11827032) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CJ-15,183 (CHEBI:224053) has functional parent pentacarboxylic acid (CHEBI:35743) |
| CJ-15,183 (CHEBI:224053) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| 1-[3-carboxy-2-hydroxy-2-[2-oxo-5-[(1E,5Z,8Z)-tetradeca-1,5,8-trienyl]oxolan-3-yl]propanoyl]oxypropane-1,2,3-tricarboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 8070255 | ChemSpider |