| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:30 UTC |
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| Update Date | 2025-03-25 00:50:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181952 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O5 |
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| Molecular Mass | 186.0528 |
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| SMILES | O=C(O)C(O)C1CCC(O)=CC1=O |
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| InChI Key | OHBXDFWEZVJYNG-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 | carbonyl compounds |
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| Direct Parent | cyclohexenones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsvinylogous acids |
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| Substituents | alcoholcyclohexenonecarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativevinylogous acidorganic oxidemonocarboxylic acid or derivativessecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivative |
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