| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:42 UTC |
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| Update Date | 2025-03-25 00:45:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O7 |
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| Molecular Mass | 272.0896 |
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| SMILES | COc1cc(C(O)CC(O)C(=O)O)cc(OC)c1O |
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| InChI Key | VGOZRSVLVDHYGX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha hydroxy acids and derivativesanisolesaromatic alcoholscarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidalpha-hydroxy acidmethoxyphenolalkyl aryl ethercarboxylic acid derivativedimethoxybenzeneorganic oxidealcoholhydroxy acidmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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