| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:12 UTC |
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| Update date | 2017-01-19 02:36:16 UTC |
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| FoodComEx ID | PC000205 |
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| FoodDB Record | FDB001783 |
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| Chemical Information |
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| Name | 3-Methoxy-4-hydroxyphenylacetic acid |
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| Description | Homovanillic acid is a major catecholamine metabolite. 3-Methoxy-4-hydroxyphenylacetic acid is found in beer, olive, and avocado. |
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| CAS Number | 306-08-1 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (4-Hydroxy-3-methoxyphenyl)acetate | biospider | | (4-Hydroxy-3-methoxyphenyl)acetic acid | biospider | | 3-Methoxy-4-hydroxy-phenylacetic acid | biospider | | 3-Methoxy-4-hydroxyphenylacetate | biospider | | 4-Hydroxy-3-methoxybenzeneacetate | biospider | | 4-Hydroxy-3-methoxybenzeneacetic acid | biospider | | 4-Hydroxy-3-methoxyphenylacetic acid | biospider | | HMPA | biospider | | Homovanilate | biospider | | Homovanilic acid | biospider | | Homovanillate | biospider | | Homovanillic acid | biospider | | Homovanillinic acid | biospider | | HVA | biospider | | Vanilacetate | biospider | | Vanilacetic acid | biospider | | Vanillacetic acid | biospider |
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| Chemical Formula | C9H10O4 |
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| IUPAC name | 2-(4-hydroxy-3-methoxyphenyl)acetic acid |
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| InChI Identifier | InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12) |
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| InChI Key | QRMZSPFSDQBLIX-UHFFFAOYSA-N |
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| Isomeric SMILES | COC1=CC(CC(O)=O)=CC=C1O |
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| Average Molecular Weight | 182.1733 |
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| Monoisotopic Molecular Weight | 182.057908808 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as methoxyphenols. Methoxyphenols are compounds containing a methoxy group attached to the benzene ring of a phenol moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Phenols |
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| Sub Class | Methoxyphenols |
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| Direct Parent | Methoxyphenols |
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| Alternative Parents | |
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| Substituents | - Methoxyphenol
- Phenoxy compound
- Anisole
- Methoxybenzene
- Phenol ether
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Monocyclic benzene moiety
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Ether
- Carboxylic acid
- Organic oxygen compound
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- 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 | 0.33 | LAHANN,TR ET AL. (1989) |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | 138-140 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 500 mg |
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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 | E679 |
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| AKSci | J11000 |
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| AKSci | J40038 |
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| AKSci | J94170 |
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| MetaSci | HMDB0000118 |
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| Tokyo Chemical Industry | HMDB0000118 |
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| Toronto Research Chemicals | H669500 |
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