| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:28 UTC |
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| Update Date | 2025-03-21 18:00:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027763 |
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| Frequency | 136.3 |
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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 | O=C(O)CC1CC(O)C(CC(=O)O)O1 |
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| InChI Key | MDAWDLKEMHOGIV-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | alcoholcarbonyl groupethercarboxylic acidtetrahydrofuranmonosaccharidedialkyl etheroxacyclesaccharideorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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