| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:32 UTC |
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| Update Date | 2025-03-25 00:52:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02195572 |
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| Frequency | 0.5 |
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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 | CC=C(O)C(=O)C(C)C(=O)O |
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| InChI Key | PSRUWKXNWNJOML-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 compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsenonesfatty acylshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidesb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketoneorganic oxidehydroxy fatty acidenonealpha-branched alpha,beta-unsaturated-ketonemethyl-branched fatty acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-group1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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