Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-20 23:42:13 UTC |
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Update Date | 2025-03-21 17:59:20 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00020266 |
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Frequency | 200.2 |
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Structure | |
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Chemical Formula | C6H8O5 |
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Molecular Mass | 160.0372 |
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SMILES | O=C(O)CC=C(O)CC(=O)O |
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InChI Key | RMGDKEHNBSWCFI-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 | medium-chain hydroxy acids and derivatives |
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Direct Parent | medium-chain hydroxy acids and derivatives |
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Geometric Descriptor | aliphatic acyclic compounds |
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Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxides |
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Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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