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CHEBI:90194 - laccaic acid D
| Formula | C16H10O7 |
| Net Charge | 0 |
| Average Mass | 314.249 |
| Monoisotopic Mass | 314.04265 |
| SMILES | Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cc(O)cc1C2=O |
| InChI | InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23) |
| InChIKey | DDTNCHWMNZLWKO-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Dactylopius coccus (ncbitaxon:765876) | - | PubMed (24267092) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. |
| Application: |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| laccaic acid D (CHEBI:90194) has role animal metabolite (CHEBI:75767) |
| laccaic acid D (CHEBI:90194) has role dye (CHEBI:37958) |
| laccaic acid D (CHEBI:90194) is a monocarboxylic acid (CHEBI:25384) |
| laccaic acid D (CHEBI:90194) is a polyphenol (CHEBI:26195) |
| laccaic acid D (CHEBI:90194) is a trihydroxyanthraquinone (CHEBI:37488) |
| laccaic acid D (CHEBI:90194) is conjugate acid of laccaic acid D(1−) (CHEBI:149532) |
| Incoming Relation(s) |
| LAC dye (CHEBI:90184) has part laccaic acid D (CHEBI:90194) |
| laccaic acid D(1−) (CHEBI:149532) is conjugate base of laccaic acid D (CHEBI:90194) |
| IUPAC Name |
|---|
| 3,6,8-trihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| Xanthokermesic acid | HMDB |
| Flavokermesic acid | HMDB |
| 9,10-Dihydro-3,6,8-trihydroxy-1-methyl-9,10-dioxo-2-anthracenecarboxylic acid | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0029508 | HMDB |
| C00051186 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3122381 | Reaxys |
| CAS:18499-84-8 | KNApSAcK |
| Citations |
|---|