| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:07:29 UTC |
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| Update Date | 2025-03-25 00:34:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02079842 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C5H8O3 |
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| Molecular Mass | 116.0473 |
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| SMILES | COCC=CC(=O)O |
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| InChI Key | ZOJKRWXDNYZASL-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 | hydroxy acids and derivatives |
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| Subclass | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesstraight chain fatty acidsunsaturated fatty acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupstraight chain fatty acidethercarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativedialkyl etherunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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