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CHEBI:15787 - deoxylimonoic acid D-ring-lactone
| Formula | C26H34O9 |
| Net Charge | 0 |
| Average Mass | 490.549 |
| Monoisotopic Mass | 490.22028 |
| SMILES | [H][C@]1([C@]2(CO)[C@@]([H])(CC(=O)O)C(C)(C)O[C@@]2([H])CC(=O)O)CC[C@]2(C)C(=C1C)CC(=O)O[C@H]2c1ccoc1 |
| InChI | InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/t16-,18-,19-,23-,25+,26+/m0/s1 |
| InChIKey | BQKCYOXFBVKBDA-DYNITIQCSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a dicarboxylic acid (CHEBI:35692) |
| deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a furans (CHEBI:24129) |
| deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a lactone (CHEBI:25000) |
| deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a limonoid (CHEBI:39434) |
| deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a primary alcohol (CHEBI:15734) |
| deoxylimonoic acid D-ring-lactone (CHEBI:15787) is conjugate acid of deoxylimononate D-ring-lactone(2−) (CHEBI:57516) |
| Incoming Relation(s) |
| deoxylimononate D-ring-lactone(2−) (CHEBI:57516) is conjugate base of deoxylimonoic acid D-ring-lactone (CHEBI:15787) |
| IUPAC Name |
|---|
| 2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetic acid |
| Synonym | Source |
|---|---|
| Deoxylimononic acid D-ring-lactone | KEGG COMPOUND |