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CHEBI:75311 - methyl aklanonate
| Formula | C22H18O8 |
| Net Charge | 0 |
| Average Mass | 410.378 |
| Monoisotopic Mass | 410.10017 |
| SMILES | CCC(=O)CC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O |
| InChI | InChI=1S/C22H18O8/c1-3-11(23)9-15(25)17-10(8-16(26)30-2)7-13-19(21(17)28)22(29)18-12(20(13)27)5-4-6-14(18)24/h4-7,24,28H,3,8-9H2,1-2H3 |
| InChIKey | IDEZUESUWKFILV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl aklanonate (CHEBI:75311) has functional parent aklanonic acid (CHEBI:31178) |
| methyl aklanonate (CHEBI:75311) is a dihydroxyanthraquinone (CHEBI:37484) |
| methyl aklanonate (CHEBI:75311) is a methyl ester (CHEBI:25248) |
| methyl aklanonate (CHEBI:75311) is a polyphenol (CHEBI:26195) |
| methyl aklanonate (CHEBI:75311) is conjugate acid of methyl aklanonate(1−) (CHEBI:77988) |
| Incoming Relation(s) |
| methyl aklanonate(1−) (CHEBI:77988) is conjugate base of methyl aklanonate (CHEBI:75311) |
| IUPAC Name |
|---|
| methyl [4,5-dihydroxy-9,10-dioxo-3-(3-oxopentanoyl)-9,10-dihydroanthracen-2-yl]acetate |
| Synonyms | Source |
|---|---|
| Aklanonic acid methyl ester | KEGG COMPOUND |
| AAME | KEGG COMPOUND |
| Citations |
|---|