| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:06 UTC |
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| Update Date | 2025-03-21 18:41:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132046 |
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| Frequency | 19.1 |
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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 | CCC=CC(=O)C(O)C(=O)O |
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| InChI Key | DSQLIXCCYRRACH-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 compoundsacryloyl compoundsacyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcoholsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha-hydroxy acidmonosaccharidealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidefatty alcoholhydroxy fatty acidenonealcoholhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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