| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:41 UTC |
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| Update Date | 2025-03-25 00:55:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02214515 |
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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 | CC=CC(C(=O)O)C(=O)C(=O)O |
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| InChI Key | BMBCVJFSHWXWET-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesmethyl-branched fatty acidsorganic oxides |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidbeta-keto acidketoneorganic oxideorganic oxygen compoundalpha-keto aciddicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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