| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:16 UTC |
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| Update Date | 2025-03-21 18:01:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034375 |
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| Frequency | 104.7 |
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| Structure | |
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| Chemical Formula | C6H8O7 |
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| Molecular Mass | 192.027 |
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| SMILES | O=CC(=O)C(O)C(O)C(O)C(=O)O |
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| InChI Key | VLFFNIKCNGLGIG-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 | acyloinsalpha hydroxy acids and derivativesalpha ketoaldehydesalpha-hydroxy ketonesbeta hydroxy acids and derivativesbeta-hydroxy aldehydesbeta-hydroxy ketonescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundbeta-hydroxy aldehydecarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefatty acidalpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonebeta-hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acidalpha-ketoaldehydealcoholaldehydemonocarboxylic acid or derivativesorganic oxygen compoundacyloinsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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