| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:57:13 UTC |
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| Update Date | 2025-03-25 00:52:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02194844 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O6 |
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| Molecular Mass | 204.0634 |
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| SMILES | CCOC(=O)C(O)C(C)C(=O)C(=O)O |
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| InChI Key | UFDPJGRSGWURPJ-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 | keto acids and derivatives |
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| Subclass | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbeta-hydroxy ketonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsorganic oxidessecondary alcoholsshort-chain keto acids and derivatives |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain keto acidalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidhydroxy fatty acidalcoholmethyl-branched fatty acidbranched fatty acidgamma-keto acidfatty acid esterorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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