| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:18 UTC |
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| Update Date | 2025-03-21 18:34:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00101250 |
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| Frequency | 27.0 |
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| Structure | |
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| Chemical Formula | C5H8O6 |
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| Molecular Mass | 164.0321 |
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| SMILES | O=C(O)CC(O)CC(=O)OO |
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| InChI Key | SCPAFOUNSPLYAR-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic hydroperoxidesorganic oxidesperoxolsperoxycarboxylic acids and derivativessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidfatty acidhydroperoxidecarboxylic acid derivativeperoxolbeta-hydroxy acidorganic oxideorganic oxygen compoundperoxycarboxylic acid or derivativessecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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