| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:10 UTC |
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| Update Date | 2025-03-25 00:50:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181213 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C(O)CC1(O)CC(=O)CC1=O |
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| InChI Key | TYLCQNFSCAVYIQ-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 | cyclopentanols |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | acyloinscarboxylic acidscyclic alcohols and derivativescyclic ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | carbonyl groupcarboxylic acidcyclic ketonecyclic alcoholcarboxylic acid derivativecyclopentanolketonetertiary alcoholorganic oxidemonocarboxylic acid or derivativesacyloinaliphatic homomonocyclic compoundhydrocarbon derivative |
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