| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:28 UTC |
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| Update Date | 2025-03-21 18:04:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053812 |
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| Frequency | 60.0 |
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| Structure | |
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| Chemical Formula | C9H10O3 |
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| Molecular Mass | 166.063 |
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| SMILES | Cc1cccc(C(O)C(=O)O)c1 |
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| InChI Key | ASTGXUHKUFFOQX-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesaromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | aromatic alcoholalcoholcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativetolueneorganooxygen compound |
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