| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:00 UTC |
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| Update Date | 2025-03-21 18:40:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131825 |
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| Frequency | 19.2 |
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| Structure | |
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| Chemical Formula | C7H12O6 |
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| Molecular Mass | 192.0634 |
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| SMILES | O=C(O)CCC(C(=O)O)C(O)CO |
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| InChI Key | VJSLIZSWMBYZTD-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 | 1,2-diolsbeta hydroxy acids and derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidesprimary alcoholssecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidbeta-hydroxy acidorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary alcoholorganooxygen compound1,2-diol |
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