| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:52 UTC |
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| Update Date | 2025-03-21 18:06:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061908 |
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| Frequency | 50.2 |
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| Structure | |
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| Chemical Formula | C16H14O5 |
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| Molecular Mass | 286.0841 |
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| SMILES | COc1ccc(COC(=O)c2ccccc2C(=O)O)cc1 |
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| InChI Key | HMCXMXYZOPFRNR-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 | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsalkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativesbenzyloxycarbonylscarboxylic acid estersdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
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| Substituents | benzyloxycarbonylphenol etherethercarboxylic acidbenzoylbenzoate esteralkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1-carboxy-2-haloaromatic compoundbenzoic acidphenoxy compoundorganooxygen compound |
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