| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:27:47 UTC |
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| Update date | 2017-01-19 02:36:11 UTC |
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| FoodComEx ID | PC000058 |
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| FoodDB Record | FDB011959 |
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| Chemical Information |
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| Name | 5-Methoxysalicylic acid |
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| Description | Isolated from Primula veris (cowslip)
5-Methoxysalicylic acid is an aminosalicylic acid that has been found to; enhance intestinal absorption of insulin in rats and insulin uptake into human red blood cells (PMID 6319944). 5-Methoxysalicylic acid is found in tea and herbs and spices. |
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| CAS Number | 2612-02-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Hydroxy-5-methoxybenzoate | biospider | | 2-Hydroxy-5-methoxybenzoic acid | db_source | | 5-Methoxy-2-hydroxybenzoate | biospider | | 5-Methoxy-2-hydroxybenzoic acid | biospider | | 5-Methoxysalicylate | biospider | | 5-Methoxysalicylic acid | db_source | | 5-o-Methyl gentisic acid | biospider | | 6-Hydroxy-m-anisate | biospider | | 6-Hydroxy-m-anisic acid | biospider | | 6-Methoxy-m-anisate | biospider | | 6-Methoxy-m-anisic acid | biospider |
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| Chemical Formula | C8H8O4 |
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| IUPAC name | 2-hydroxy-5-methoxybenzoic acid |
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| InChI Identifier | InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) |
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| InChI Key | IZZIWIAOVZOBLF-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC(C(O)=O)=C(O)C=C1 |
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| Average Molecular Weight | 168.1467 |
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| Monoisotopic Molecular Weight | 168.042258744 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group. |
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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 | Benzoic acids and derivatives |
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| Direct Parent | M-methoxybenzoic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - M-methoxybenzoic acid or derivatives
- Salicylic acid
- Salicylic acid or derivatives
- Hydroxybenzoic acid
- Methoxyphenol
- 4-alkoxyphenol
- Benzoic acid
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- Benzoyl
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Vinylogous acid
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Monocarboxylic acid or derivatives
- Organooxygen compound
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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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 | Mp 145-146° | DFC |
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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 | J94174 |
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| AKSci | L827 |
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| MetaSci | HMDB0001868 |
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| Sigma-Aldrich | HMDB0001868 |
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| Toronto Research Chemicals | M264513 |
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