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CHEBI:2260 - 7-deoxyloganic acid
| Formula | C16H24O9 |
| Net Charge | 0 |
| Average Mass | 360.359 |
| Monoisotopic Mass | 360.14203 |
| SMILES | [H][C@]12[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@@]1([H])CC[C@@H]2C |
| InChI | InChI=1S/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)/t6-,7+,9+,10+,11+,12-,13+,15-,16-/m0/s1 |
| InChIKey | DSXFHNSGLYXPNG-YDYVGBNJSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-deoxyloganic acid (CHEBI:2260) has functional parent 7-deoxyloganetic acid (CHEBI:77027) |
| 7-deoxyloganic acid (CHEBI:2260) has role plant metabolite (CHEBI:76924) |
| 7-deoxyloganic acid (CHEBI:2260) is a cyclopentapyran (CHEBI:38606) |
| 7-deoxyloganic acid (CHEBI:2260) is a iridoid monoterpenoid (CHEBI:50563) |
| 7-deoxyloganic acid (CHEBI:2260) is a monosaccharide derivative (CHEBI:63367) |
| 7-deoxyloganic acid (CHEBI:2260) is a monoterpene glycoside (CHEBI:72293) |
| 7-deoxyloganic acid (CHEBI:2260) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| 7-deoxyloganic acid (CHEBI:2260) is a β-D-glucoside (CHEBI:22798) |
| 7-deoxyloganic acid (CHEBI:2260) is conjugate acid of 7-deoxyloganate (CHEBI:76844) |
| Incoming Relation(s) |
| 7-deoxyloganate (CHEBI:76844) is conjugate base of 7-deoxyloganic acid (CHEBI:2260) |
| IUPAC Name |
|---|
| (1S,4aS,7S,7aR)-1-(β-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Synonym | Source |
|---|---|
| bis-desoxydihydromonotropein | ChEBI |
| Citations |
|---|