| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:02 UTC |
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| Update Date | 2025-03-25 00:47:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164785 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14O5 |
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| Molecular Mass | 226.0841 |
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| SMILES | CC(O)C(O)COc1cccc(C(=O)O)c1 |
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| InChI Key | POXVVDWDYMVPOJ-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 acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl aryl ethersbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol etherethercarboxylic acidbenzoylalkyl aryl ethercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzoic acidphenoxy compoundorganooxygen compound1,2-diol |
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