| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:04 UTC |
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| Update Date | 2025-03-21 18:02:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038704 |
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| Frequency | 90.3 |
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| Structure | |
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| Chemical Formula | C9H12O4 |
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| Molecular Mass | 184.0736 |
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| SMILES | CCCCC=CC(=O)C(=O)C(=O)O |
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| InChI Key | YNHUAQNFYNMRTQ-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 | acryloyl compoundsalpha-diketonesalpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativealpha-diketonebeta-keto acidketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundalpha-keto acidhydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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