| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:17 UTC |
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| Update Date | 2025-03-25 00:48:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169925 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | CCOC(C)(CC(=O)O)C(=O)O |
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| InChI Key | DGQXYODORDMFDL-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 ethersdicarboxylic acids and derivativeshydrocarbon derivativesmethyl-branched fatty acidsorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupethercarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty aciddialkyl etherorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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