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CHEBI:213090 - 3-chloro-4-O-demethylmicrophyllinic acid
| Formula | C28H33ClO9 |
| Net Charge | 0 |
| Average Mass | 549.016 |
| Monoisotopic Mass | 548.18131 |
| SMILES | CCCCCC(=O)Cc1cc(OC(=O)c2c(CC(=O)CCCCC)cc(O)c(Cl)c2O)cc(O)c1C(=O)O |
| InChI | InChI=1S/C28H33ClO9/c1-3-5-7-9-18(30)11-16-13-20(15-21(32)23(16)27(35)36)38-28(37)24-17(12-19(31)10-8-6-4-2)14-22(33)25(29)26(24)34/h13-15,32-34H,3-12H2,1-2H3,(H,35,36) |
| InChIKey | BPJDVGBAAABJDD-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hypotrachyna leiophylla (ncbitaxon:998207) | - | DOI (10.1071/ch00143) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-chloro-4-O-demethylmicrophyllinic acid (CHEBI:213090) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 4-[3-chloro-2,4-dihydroxy-6-(2-oxoheptyl)benzoyl]oxy-2-hydroxy-6-(2-oxoheptyl)benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78435993 | ChemSpider |