| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:59 UTC |
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| Update Date | 2025-03-25 00:54:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203508 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O7 |
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| Molecular Mass | 208.0583 |
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| SMILES | O=C(O)CCOCC(O)C(O)C(=O)O |
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| InChI Key | JNGWXPCEYVSIMY-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 | 1,2-diolsalpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupethercarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativedialkyl etherbeta-hydroxy acidsaccharideorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound1,2-diol |
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