| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:43 UTC |
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| Update Date | 2025-03-21 18:34:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102298 |
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| Frequency | 26.6 |
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| Structure | |
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| Chemical Formula | C7H10O7 |
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| Molecular Mass | 206.0427 |
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| SMILES | O=CC(O)C(O)C(O)CC(=O)C(=O)O |
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| InChI Key | IHBSYIIGQPRPLY-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 | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-hydroxyaldehydesalpha-keto acids and derivativesbeta-hydroxy aldehydesbeta-hydroxy ketonescarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonesaccharideorganic oxidealpha-hydroxyaldehydealpha-keto acidhydroxy fatty acidalcoholaldehydemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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