| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:17 UTC |
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| Update Date | 2025-03-21 18:41:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132477 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C9H12O3 |
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| Molecular Mass | 168.0786 |
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| SMILES | O=C(O)C=CC1(O)C=CCCC1 |
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| InChI Key | ZTNXQTZCNSVNDN-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 | tertiary 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 grouptertiary alcoholorganic oxidemonocarboxylic acid or derivativescarboxylic acidaliphatic homomonocyclic compoundhydrocarbon derivativecarboxylic acid derivative |
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