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CHEBI:18242 - cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid
| Formula | C10H14O4 |
| Net Charge | 0 |
| Average Mass | 198.218 |
| Monoisotopic Mass | 198.08921 |
| SMILES | CC(C)C1=CC=C(C(=O)O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C10H14O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,8-9,11-12H,1-2H3,(H,13,14)/t8-,9+/m0/s1 |
| InChIKey | BUZNWVREDOAOGD-DTWKUNHWSA-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) |
| cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242) is a cyclohexadienecarboxylic acid (CHEBI:23468) |
| cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242) is conjugate acid of cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate (CHEBI:58420) |
| Incoming Relation(s) |
| cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate (CHEBI:58420) is conjugate base of cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid (CHEBI:18242) |
| IUPAC Name |
|---|
| rel-(5R,6S)-5,6-dihydroxy-4-(propan-2-yl)cyclohexa-1,3-diene-1-carboxylic acid |
| Synonyms | Source |
|---|---|
| cis-2,3-Dihydroxy-2,3-dihydro-p-cumate | KEGG COMPOUND |
| cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate | KEGG COMPOUND |
| (2S,3R)-2,3-dihydroxy-2,3-dihydro-p-cumate | IUBMB |