| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:45 UTC |
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| Update Date | 2025-03-25 00:48:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168720 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O4 |
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| Molecular Mass | 170.0579 |
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| SMILES | CC(C)C(=O)CC(=C=O)C(=O)O |
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| InChI Key | SVGHCFWWIXOSHI-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 | branched fatty acidscarboxylic acidsfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketenesketonesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundynolatehydrocarbon derivativeketeneorganooxygen compoundmedium-chain keto acid |
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