| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:18 UTC |
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| Update Date | 2025-03-21 18:06:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060532 |
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| Frequency | 51.7 |
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| Structure | |
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| Chemical Formula | C4H6O5 |
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| Molecular Mass | 134.0215 |
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| SMILES | O=C(O)CCC(=O)OO |
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| InChI Key | WBOQHFMXKCEWSQ-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 | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsfatty acids and conjugateshydrocarbon derivativesorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivatives |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidhydroperoxideperoxolorganic oxideorganic oxygen compoundperoxycarboxylic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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