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CHEBI:16226 - limonin
| Formula | C26H30O8 |
| Net Charge | 0 |
| Average Mass | 470.518 |
| Monoisotopic Mass | 470.19407 |
| SMILES | [H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)O[C@@]3([H])CC(=O)OC[C@@]213 |
| InChI | InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1 |
| InChIKey | KBDSLGBFQAGHBE-MSGMIQHVSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. inhibitor A substance that diminishes the rate of a chemical reaction. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| limonin (CHEBI:16226) has role inhibitor (CHEBI:35222) |
| limonin (CHEBI:16226) has role metabolite (CHEBI:25212) |
| limonin (CHEBI:16226) has role volatile oil component (CHEBI:27311) |
| limonin (CHEBI:16226) is a epoxide (CHEBI:32955) |
| limonin (CHEBI:16226) is a furans (CHEBI:24129) |
| limonin (CHEBI:16226) is a hexacyclic triterpenoid (CHEBI:70994) |
| limonin (CHEBI:16226) is a lactone (CHEBI:25000) |
| limonin (CHEBI:16226) is a limonoid (CHEBI:39434) |
| limonin (CHEBI:16226) is a organic heterohexacyclic compound (CHEBI:51914) |
| Incoming Relation(s) |
| deoxylimonoic acid (CHEBI:17133) has functional parent limonin (CHEBI:16226) |
| limonin 17-β-D-glucoside (CHEBI:16063) has functional parent limonin (CHEBI:16226) |
| IUPAC Name |
|---|
| (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione |
| Synonyms | Source |
|---|---|
| Limonoate D-ring-lactone | KEGG COMPOUND |
| Limonin | KEGG COMPOUND |
| 7,16-Dioxo-7,16-dideoxylimondiol | ChemIDplus |
| Limonoic acid, di-delta-lactone | ChemIDplus |
| Evodin | KEGG COMPOUND |
| Citrolimonin | ChemIDplus |
| Brand Name | Source |
|---|---|
| Evodia fruit | KEGG DRUG |
| UniProt Name | Source |
|---|---|
| limonin | UniProt |
| Citations |
|---|