| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:07 UTC |
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| Update Date | 2025-03-25 00:52:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02196852 |
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| Frequency | 0.5 |
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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 | CCC=CC(=O)C(=O)C(=O)OCC |
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| InChI Key | ZWFRZYMJOQHMTI-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 | beta-keto acids and derivatives |
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| Direct Parent | beta-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-diketonesalpha-keto acids and derivativescarboxylic acid estersenonesfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupalpha,beta-unsaturated ketonecarboxylic acid derivativealpha-diketonebeta-keto acidketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralpha-keto acidhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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