| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:02 UTC |
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| Update Date | 2025-03-25 00:47:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162504 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O5 |
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| Molecular Mass | 200.0685 |
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| SMILES | O=C(O)C=CC1CC(O)C(=O)CC1O |
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| InChI Key | NHEGZHFHVAVMHX-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 | cyclic alcohols and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidscyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidcyclic ketonecyclic alcoholcarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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