| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:44 UTC |
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| Update Date | 2025-03-21 18:35:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107264 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C13H14O5 |
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| Molecular Mass | 250.0841 |
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| SMILES | COc1cc(CCC(=O)C=CC(=O)O)ccc1O |
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| InChI Key | HADNCNNIOBUFBV-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 | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsalkyl aryl ethersanisolescarbocyclic fatty acidscarboxylic acidsenoneshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsunsaturated fatty acids |
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| Substituents | fatty acylcarbocyclic fatty acidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolfatty acidalkyl aryl etheralpha,beta-unsaturated ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneunsaturated fatty acidorganic oxidemedium-chain fatty acidhydroxy fatty acidenonemethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativeacryloyl-groupphenoxy compoundorganooxygen compound |
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