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CHEBI:17133 - deoxylimonoic acid
| Formula | C26H32O8 |
| Net Charge | 0 |
| Average Mass | 472.534 |
| Monoisotopic Mass | 472.20972 |
| SMILES | [H][C@]1([C@@]23COC(=O)C[C@]2([H])OC(C)(C)[C@]3([H])CC(=O)O)CC[C@]2(C)C(=C1C)CC(=O)O[C@@]2([H])c1ccoc1 |
| InChI | InChI=1S/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)/t16-,18-,19-,23-,25+,26+/m0/s1 |
| InChIKey | NLNLACOJSWLNHE-DYNITIQCSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| deoxylimonoic acid (CHEBI:17133) has functional parent limonin (CHEBI:16226) |
| deoxylimonoic acid (CHEBI:17133) has role metabolite (CHEBI:25212) |
| deoxylimonoic acid (CHEBI:17133) is a furans (CHEBI:24129) |
| deoxylimonoic acid (CHEBI:17133) is a lactone (CHEBI:25000) |
| deoxylimonoic acid (CHEBI:17133) is a limonoid (CHEBI:39434) |
| deoxylimonoic acid (CHEBI:17133) is a monocarboxylic acid (CHEBI:25384) |
| deoxylimonoic acid (CHEBI:17133) is a organic heterobicyclic compound (CHEBI:27171) |
| deoxylimonoic acid (CHEBI:17133) is conjugate acid of deoxylimonoate (CHEBI:58024) |
| Incoming Relation(s) |
| deoxylimonoate (CHEBI:58024) is conjugate base of deoxylimonoic acid (CHEBI:17133) |
| IUPAC Name |
|---|
| {(3R,3aR,7aS)-3a-[(1R,6S,8aR)-1-furan-3-yl-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-isochromen-6-yl]-2,2-dimethyl-6-oxohexahydro-4H-furo[3,2-c]pyran-3-yl}acetic acid |
| Synonyms | Source |
|---|---|
| Deoxylimonate | KEGG COMPOUND |
| Deoxylimonic acid | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C02027 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:35606-75-8 | ChemIDplus |