| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:45 UTC |
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| Update date | 2017-01-19 02:36:19 UTC |
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| FoodComEx ID | PC000301 |
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| FoodDB Record | FDB000317 |
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| Chemical Information |
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| Name | Homoveratric acid |
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| Description | Homoveratric acid is the main metabolite of 3,4-dimethoxyphenylethylamine (DMPEA) in urine. It has been suggested that DMPEA and other amines are in higher concentrations in drug-free schizophrenics than in normal subjects. DMPEA is a the di-methylated metabolite of L-DOPA, the major treatment for Parkinson's disease (PD). (PMID 7059639, 14311254, 588645, 10834300). Homoveratric acid is found in olive. |
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| CAS Number | 93-40-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (3,4-Dimethoxyphenyl)acetate | biospider | | (3,4-Dimethoxyphenyl)acetic acid | biospider | | 3, 4-(Dimethoxyphenyl) acetic acid | biospider | | 3,4-(Dimethoxy)benzeneacetic acid | biospider | | 3,4-(Dimethoxyphenyl) acetic acid | biospider | | 3,4-Dimethoxybenzeneacetate | biospider | | 3,4-Dimethoxybenzeneacetic acid | db_source | | 3,4-dimethoxyphenyl Acetic Acid | biospider | | 3,4-Dimethoxyphenylacetate | biospider | | 3,4-Dimethoxyphenylacetic acid | db_source | | Acetic acid, (3, 4-dimethoxyphenyl)- | biospider | | Acetic acid, (3,4-dimethoxyphenyl)- | biospider | | Benzeneacetic acid, 3,4-dimethoxy- | biospider | | Homoveratrate | biospider |
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| Chemical Formula | C10H12O4 |
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| IUPAC name | 2-(3,4-dimethoxyphenyl)acetic acid |
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| InChI Identifier | InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) |
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| InChI Key | WUAXWQRULBZETB-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC=C(CC(O)=O)C=C1OC |
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| Average Molecular Weight | 196.1999 |
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| Monoisotopic Molecular Weight | 196.073558872 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Methoxybenzenes |
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| Direct Parent | Dimethoxybenzenes |
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| Alternative Parents | |
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| Substituents | - O-dimethoxybenzene
- Dimethoxybenzene
- Phenoxy compound
- Anisole
- Phenol ether
- Alkyl aryl ether
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Ether
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | 96 oC | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 2 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | A081 |
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| AKSci | J92500 |
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| MetaSci | HMDB0000434 |
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| Sigma-Aldrich | HMDB0000434 |
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| Toronto Research Chemicals | H669520 |
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