| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:42 UTC |
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| Update Date | 2025-03-21 18:41:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00133406 |
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| Frequency | 18.9 |
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| Structure | |
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| Chemical Formula | C7H10O4 |
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| Molecular Mass | 158.0579 |
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| SMILES | O=CCCCC(=O)CC(=O)O |
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| InChI Key | ATJRNFHDSMPTRZ-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 | alpha-hydrogen aldehydesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidaldehydecarboxylic acid derivativebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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