| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:31 UTC |
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| Update Date | 2025-03-21 18:39:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125904 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C8H8O3 |
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| Molecular Mass | 152.0473 |
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| SMILES | O=C(O)CC1=CC(=O)CC=C1 |
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| InChI Key | YZXXMYKYPJLSQS-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 | cyclic ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | organic oxidemonocarboxylic acid or derivativescarboxylic acidaliphatic homomonocyclic compoundhydrocarbon derivativecyclic ketonecarboxylic acid derivative |
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