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CHEBI:77027 - 7-deoxyloganetic acid
| Formula | C10H14O4 |
| Net Charge | 0 |
| Average Mass | 198.218 |
| Monoisotopic Mass | 198.08921 |
| SMILES | [H][C@]12[C@H](O)OC=C(C(=O)O)[C@@]1([H])CC[C@@H]2C |
| InChI | InChI=1S/C10H14O4/c1-5-2-3-6-7(9(11)12)4-14-10(13)8(5)6/h4-6,8,10,13H,2-3H2,1H3,(H,11,12)/t5-,6+,8+,10+/m0/s1 |
| InChIKey | DKGYTSKPMLWLEI-FIZOKRMRSA-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-deoxyloganetic acid (CHEBI:77027) has role plant metabolite (CHEBI:76924) |
| 7-deoxyloganetic acid (CHEBI:77027) is a cyclopentapyran (CHEBI:38606) |
| 7-deoxyloganetic acid (CHEBI:77027) is a iridoid monoterpenoid (CHEBI:50563) |
| 7-deoxyloganetic acid (CHEBI:77027) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| 7-deoxyloganetic acid (CHEBI:77027) is conjugate acid of 7-deoxyloganetate (CHEBI:76846) |
| Incoming Relation(s) |
| 7-deoxyloganetic alcohol (CHEBI:141988) has functional parent 7-deoxyloganetic acid (CHEBI:77027) |
| 7-deoxyloganetic aldehyde (CHEBI:141989) has functional parent 7-deoxyloganetic acid (CHEBI:77027) |
| 7-deoxyloganetin (CHEBI:76849) has functional parent 7-deoxyloganetic acid (CHEBI:77027) |
| 7-deoxyloganic acid (CHEBI:2260) has functional parent 7-deoxyloganetic acid (CHEBI:77027) |
| 7-deoxyloganetate (CHEBI:76846) is conjugate base of 7-deoxyloganetic acid (CHEBI:77027) |
| IUPAC Name |
|---|
| (1R,4aS,7S,7aR)-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| CPD-9980 | MetaCyc |
| Citations |
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