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CHEBI:224898 - Ilicicolinic acid C
| Formula | C23H33ClO5 |
| Net Charge | 0 |
| Average Mass | 424.965 |
| Monoisotopic Mass | 424.20165 |
| SMILES | CC(C)=CCC[C@@](C)(O)CCC/C(C)=C/Cc1c(O)c(Cl)c(C)c(C(=O)O)c1O |
| InChI | InChI=1S/C23H33ClO5/c1-14(2)8-6-12-23(5,29)13-7-9-15(3)10-11-17-20(25)18(22(27)28)16(4)19(24)21(17)26/h8,10,25-26,29H,6-7,9,11-13H2,1-5H3,(H,27,28)/b15-10+/t23-/m1/s1 |
| InChIKey | UPKGCCJDPUMZAM-WIJYMUHASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Neonectria (ncbitaxon:140106) | - | PubMed (25478997) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ilicicolinic acid C (CHEBI:224898) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 5-chloro-2,4-dihydroxy-3-[(2E)-7-hydroxy-3,7,11-trimethyldodeca-2,10-dienyl]-6-methylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 58130015 | ChemSpider |