| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:21 UTC |
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| Update Date | 2025-03-21 18:04:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053578 |
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| Frequency | 60.4 |
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| Structure | |
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| Chemical Formula | C12H16O4 |
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| Molecular Mass | 224.1049 |
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| SMILES | COc1cc(C(=O)O)cc(C(C)(C)C)c1O |
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| InChI Key | IENVFYPNGQBNNT-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | m-methoxybenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanes |
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| Substituents | phenol etherethercarboxylic acidbenzoylmethoxyphenolalkyl aryl ethercarboxylic acid derivativephenylpropaneorganic oxidebenzoic acidm-methoxybenzoic acid or derivativesmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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