| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:57 UTC |
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| Update Date | 2025-03-21 18:38:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119855 |
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| Frequency | 21.7 |
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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=C(O)C=C(O)C(O)C(O)C(=O)O |
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| InChI Key | VHNMAQVDCDTIGA-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-diolsalpha hydroxy acids and derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonosaccharidesorganic oxidessecondary alcoholsunsaturated fatty acidsvinylogous acids |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidbeta-hydroxy acidsaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acid1,2-diolalcoholvinylogous acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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