| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:15 UTC |
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| Update Date | 2025-03-25 00:52:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H15NO5 |
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| Molecular Mass | 229.095 |
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| SMILES | CCC(=O)NC(C=CC(=O)O)C(C)C(=O)O |
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| InChI Key | AJHTWGZECLFJCU-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | amino fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmedium-chain fatty acidsmethyl-branched fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidfatty acidcarboxamide groupamino fatty acidbranched fatty acidbeta amino acid or derivativessecondary carboxylic acid amideunsaturated fatty acidorganic oxideorganic oxygen compoundorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidorganic nitrogen compoundorganooxygen compound |
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