| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:53:00 UTC |
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| Update Date | 2025-03-24 22:24:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01185257 |
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| Frequency | 1.1 |
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| Structure | |
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| Chemical Formula | C6H6O4 |
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| Molecular Mass | 142.0266 |
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| SMILES | CC(C(=O)O)C(=O)C=C=O |
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| InChI Key | JIDSUSXDFMQQOR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | short-chain keto acids and derivatives |
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| Direct Parent | short-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsacryloyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativesketenesmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesynolates |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain keto acidcarboxylic acid derivativebranched fatty acidbeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundketeneorganooxygen compoundenone |
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