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CHEBI:85142 - methyl nogalonate
| Formula | C21H16O8 |
| Net Charge | 0 |
| Average Mass | 396.351 |
| Monoisotopic Mass | 396.08452 |
| SMILES | COC(=O)Cc1cc2c(c(O)c1C(=O)CC(C)=O)C(=O)c1c(O)cccc1C2=O |
| InChI | InChI=1S/C21H16O8/c1-9(22)6-14(24)16-10(8-15(25)29-2)7-12-18(20(16)27)21(28)17-11(19(12)26)4-3-5-13(17)23/h3-5,7,23,27H,6,8H2,1-2H3 |
| InChIKey | QBPKMZSXGLNWOB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| methyl nogalonate (CHEBI:85142) has functional parent nogalonic acid (CHEBI:31915) |
| methyl nogalonate (CHEBI:85142) is a dihydroxyanthraquinone (CHEBI:37484) |
| methyl nogalonate (CHEBI:85142) is a methyl ester (CHEBI:25248) |
| methyl nogalonate (CHEBI:85142) is a polyketide (CHEBI:26188) |
| methyl nogalonate (CHEBI:85142) is a polyphenol (CHEBI:26195) |
| methyl nogalonate (CHEBI:85142) is conjugate acid of methyl nogalonate(1−) (CHEBI:84345) |
| Incoming Relation(s) |
| methyl nogalonate(1−) (CHEBI:84345) is conjugate base of methyl nogalonate (CHEBI:85142) |
| IUPAC Name |
|---|
| methyl (3-acetoacetyl-4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetate |
| Synonym | Source |
|---|---|
| nogalonic acid methyl ester | ChEBI |
| Citations |
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