| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2010-04-08 22:10:53 UTC |
|---|
| Update date | 2019-11-26 03:08:58 UTC |
|---|
| Primary ID | FDB013740 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Chemical Information |
|---|
| FooDB Name | Diosbulbin D |
|---|
| Description | Succinic acid, also known as ethylenesuccinate or butanedionic acid, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Succinic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Succinic acid exists in all living species, ranging from bacteria to humans. Succinic acid is an odorless and sour tasting compound. Succinic acid is found, on average, in the highest concentration within star fruits and mexican groundcherries. Succinic acid has also been detected, but not quantified in, several different foods, such as oats, cashew nuts, orange mints, feijoa, and saffrons. This could make succinic acid a potential biomarker for the consumption of these foods. Succinic acid is a potentially toxic compound. |
|---|
| CAS Number | 66756-57-8 |
|---|
| Structure | |
|---|
| Synonyms | |
|---|
| Predicted Properties | |
|---|
| Chemical Formula | C19H20O6 |
|---|
| IUPAC name | 8-(furan-3-yl)-10-methyl-7,14-dioxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-3,6,15-trione |
|---|
| InChI Identifier | InChI=1S/C19H20O6/c1-19-7-15(9-2-3-23-8-9)25-18(22)13(19)6-14(20)16-11-4-10(5-12(16)19)24-17(11)21/h2-3,8,10-13,15-16H,4-7H2,1H3 |
|---|
| InChI Key | FJCWYLRNGKSUCH-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | CC12CC(OC(=O)C1CC(=O)C1C3CC(CC21)OC3=O)C1=COC=C1 |
|---|
| Average Molecular Weight | 344.3585 |
|---|
| Monoisotopic Molecular Weight | 344.125988372 |
|---|
| Classification |
|---|
| Description | Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
| Class | Carboxylic acids and derivatives |
|---|
| Sub Class | Dicarboxylic acids and derivatives |
|---|
| Direct Parent | Dicarboxylic acids and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Fatty acid
- Dicarboxylic acid or derivatives
- Carboxylic acid
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
|
|---|
| Molecular Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
|
| Disposition | Route of exposure: Source: Biological location: |
|---|
| Process | Naturally occurring process: |
|---|
| Role | Industrial application: Biological role: |
|---|
| Physico-Chemical Properties |
|---|
| Physico-Chemical Properties - Experimental | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
| EI-MS/GC-MS | | Type | Description | Splash Key | View |
|---|
| Predicted GC-MS | Diosbulbin D, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-1029-4297000000-8d8518ca12e4865bbe99 | Spectrum |
|
|---|
| MS/MS | | Type | Description | Splash Key | View |
|---|
| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0029000000-7733adc1f1f084ddd910 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-2269000000-0735e6f3e2bf96f58640 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-00dj-9873000000-e3d0b32718e252491617 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0007-1079000000-a098270264e872a0cd24 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0005-1096000000-6d4b829b0df6e9bba56c | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-014i-2091000000-77c5c32e68b01715876b | 2016-08-03 | View Spectrum |
|
|---|
| NMR | Not Available |
|---|
| External Links |
|---|
| ChemSpider ID | 90377 |
|---|
| ChEMBL ID | Not Available |
|---|
| KEGG Compound ID | Not Available |
|---|
| Pubchem Compound ID | 100021 |
|---|
| Pubchem Substance ID | Not Available |
|---|
| ChEBI ID | Not Available |
|---|
| Phenol-Explorer ID | Not Available |
|---|
| DrugBank ID | Not Available |
|---|
| HMDB ID | HMDB35109 |
|---|
| CRC / DFC (Dictionary of Food Compounds) ID | JGP15-N:JGP16-O |
|---|
| EAFUS ID | Not Available |
|---|
| Dr. Duke ID | Not Available |
|---|
| BIGG ID | Not Available |
|---|
| KNApSAcK ID | Not Available |
|---|
| HET ID | Not Available |
|---|
| Food Biomarker Ontology | Not Available |
|---|
| VMH ID | Not Available |
|---|
| Flavornet ID | Not Available |
|---|
| GoodScent ID | Not Available |
|---|
| SuperScent ID | Not Available |
|---|
| Wikipedia ID | Not Available |
|---|
| Phenol-Explorer Metabolite ID | Not Available |
|---|
| Duplicate IDS | Not Available |
|---|
| Old DFC IDS | Not Available |
|---|
| Associated Foods |
|---|
|
| Biological Effects and Interactions |
|---|
| Health Effects / Bioactivities | Not Available |
|---|
| Enzymes | Not Available |
|---|
| Pathways | Not Available |
|---|
| Metabolism | Not Available |
|---|
| Biosynthesis | Not Available |
|---|
| Organoleptic Properties |
|---|
| Flavours | Not Available |
|---|
| Files |
|---|
| MSDS | Not Available |
|---|
| References |
|---|
| Synthesis Reference | Not Available |
|---|
| General Reference | Not Available |
|---|
| Content Reference | |
|---|
