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CHEBI:214445 - Ilicicolinic acid D
| Formula | C23H33ClO5 |
| Net Charge | 0 |
| Average Mass | 424.965 |
| Monoisotopic Mass | 424.20165 |
| SMILES | C/C(=C\Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O)CC/C=C(\C)CCCC(C)(C)O |
| InChI | InChI=1S/C23H33ClO5/c1-14(10-7-13-23(4,5)29)8-6-9-15(2)11-12-17-20(25)18(22(27)28)16(3)19(24)21(17)26/h8,11,25-26,29H,6-7,9-10,12-13H2,1-5H3,(H,27,28)/b14-8+,15-11+ |
| InChIKey | YCTOLKGEIMWJTN-FVXNJELISA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neonectria (ncbitaxon:140106) | - | PubMed (25478997) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ilicicolinic acid D (CHEBI:214445) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 5-chloro-2,4-dihydroxy-3-[(2E,6E)-11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl]-6-methylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 58130016 | ChemSpider |