| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:54 UTC |
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| Update Date | 2025-03-21 18:34:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102748 |
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| Frequency | 26.5 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | COC1C(O)C=C(C(=O)O)CC1O |
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| InChI Key | PSRQBCKBQRTZCX-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 | cyclitols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | carbonyl groupethercarboxylic acidcyclitol or derivativescarboxylic acid derivativedialkyl etherorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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