Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:15 UTC |
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Update Date | 2025-03-21 18:34:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00101110 |
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Frequency | 27.0 |
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Structure | |
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Chemical Formula | C9H14O4 |
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Molecular Mass | 186.0892 |
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SMILES | O=C(O)CCC1(O)C=CC(O)CC1 |
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InChI Key | GINFSGUINORMGZ-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 oxidessecondary alcohols |
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Substituents | carbonyl groupcarboxylic acidcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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