| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:56 UTC |
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| Update Date | 2025-03-25 00:47:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164547 |
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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)O)C(O)Cc1ccc(O)cc1 |
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| InChI Key | GAILWJUROZYYTR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | hydroxy acids and derivatives |
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| Subclass | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acidalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundbeta-hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound1,2-diol |
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