| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:55:45 UTC |
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| Update Date | 2025-03-21 23:00:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00617590 |
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| Frequency | 2.6 |
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| Structure | |
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| Chemical Formula | C7H10O3 |
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| Molecular Mass | 142.063 |
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| SMILES | CC1=C(C(=O)O)CC(O)C1 |
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| InChI Key | JJGCQLOBFJWQIM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | secondary alcohols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl grouporganic oxidemonocarboxylic acid or derivativescarboxylic acidsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativecarboxylic acid derivative |
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