Record Information |
---|
Version | 2.0 |
---|
Creation Date | 2015-09-08 17:49:11 -0600 |
---|
Update Date | 2015-09-08 17:49:11 -0600 |
---|
Secondary Accession Numbers | |
---|
Identification |
---|
Name: | Gentisate aldehyde |
---|
Description | |
---|
Structure | |
---|
Synonyms: | |
---|
Chemical Formula: | C7H6O3 |
---|
Weight: | Average: 138.1207 Monoisotopic: 138.031694058 |
---|
InChI Key: | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
---|
InChI: | InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H |
---|
CAS number: | Not Available |
---|
IUPAC Name: | 2,5-dihydroxybenzaldehyde |
---|
Traditional IUPAC Name: | 2,5-dihydroxybenzaldehyde |
---|
SMILES: | OC1=CC(C=O)=C(O)C=C1 |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbonyl compounds |
---|
Direct Parent | Hydroxybenzaldehydes |
---|
Alternative Parents | |
---|
Substituents | - Hydroxybenzaldehyde
- Hydroquinone
- Benzoyl
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Benzenoid
- Monocyclic benzene moiety
- Vinylogous acid
- Organic oxide
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
|
---|
Molecular Framework | Aromatic homomonocyclic compounds |
---|
External Descriptors | |
---|
Physical Properties |
---|
State: | Not Available |
---|
Charge: | 0 |
---|
Melting point: | Not Available |
---|
Experimental Properties: | |
---|
Predicted Properties | |
---|
Biological Properties |
---|
Cellular Locations: | Cytoplasm |
---|
Reactions: | |
---|
SMPDB Pathways: | Not Available |
---|
KEGG Pathways: | Not Available |
---|
EcoCyc Pathways: | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
Spectra |
---|
Spectra: | Spectrum Type | Description | Splash Key | |
---|
GC-MS | GC-MS Spectrum - GC-MS (1 MEOX; 2 TMS) | splash10-00kp-5960000000-bec903f315e1845244d7 | View in MoNA |
---|
GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-00kp-5960000000-bec903f315e1845244d7 | View in MoNA |
---|
GC-MS | GC-MS Spectrum - GC-EI-TOF (Non-derivatized) | splash10-000f-3950000000-8e919d9041c538560134 | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-052r-1900000000-0b145e1b76109b0e3eb4 | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive | splash10-00xr-7590000000-455567d8dfbc7e3dba5e | View in MoNA |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | View in JSpectraViewer |
---|
LC-MS/MS | LC-MS/MS Spectrum - 35V, Negative | splash10-0a4i-0900000000-90662d0618d9cce00024 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-000i-0900000000-af21f8eeeeadcc46cbfc | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-000i-0900000000-04c4fa8144677146316e | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a6r-9400000000-d411348adc0ce1a20115 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0900000000-62156de1635566675d5d | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0900000000-b2aa10703171a591e141 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pvr-9500000000-27265e763c9f32220d26 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03di-0900000000-612dd269992a41de38f0 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-06zc-9700000000-c89dd3c5369bbd736622 | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-052o-9000000000-2cecf007249aad42befc | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-052r-0900000000-cdee32ee754a5d861e5e | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4i-1900000000-e6e58f0193f4c0b3eadd | View in MoNA |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pxu-9000000000-b730150e2cac64de8372 | View in MoNA |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 13C NMR Spectrum | Not Available | View in JSpectraViewer |
---|
1D NMR | 1H NMR Spectrum | Not Available | View in JSpectraViewer |
---|
|
---|
References |
---|
References: | Not Available |
---|
Synthesis Reference: | Not Available |
---|
Material Safety Data Sheet (MSDS) | Not Available |
---|
Links |
---|
External Links: | |
---|