| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:26 UTC |
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| Update Date | 2025-03-25 00:53:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | COC(=O)c1ccccc1OCCCC(=O)O |
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| InChI Key | UNBOIRWDQUTQOI-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 | alkyl aryl ethersbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidbenzoylbenzoate esteralkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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