| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:52 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203211 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H10O6 |
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| Molecular Mass | 190.0477 |
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| SMILES | O=C(O)CC(O)CC(=O)C(=O)CO |
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| InChI Key | IAFXLEDMSJVHIN-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 | alpha-diketonesalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidefatty acidalpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonebeta-hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholalpha-diketonemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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