| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:45:35 UTC |
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| Update Date | 2025-03-21 18:50:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00170693 |
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| Frequency | 13.7 |
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| Structure | |
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| Chemical Formula | C7H8O3 |
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| Molecular Mass | 140.0473 |
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| SMILES | O=C(O)C1(O)C=CC=CC1 |
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| InChI Key | XQISPVJWRLHHLT-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 | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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