| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:49 UTC |
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| Update Date | 2025-03-25 00:50:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182660 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H6O7 |
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| Molecular Mass | 190.0114 |
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| SMILES | O=C=C(C(=O)O)C(O)C(O)C(=O)O |
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| InChI Key | NFPZHQALFJGHAX-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 | beta hydroxy acids and derivatives |
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| Direct Parent | beta 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 derivativesbranched fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketenesmonosaccharidesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivativesunsaturated fatty acidsynolates |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidshort-chain hydroxy acidalpha-hydroxy acidmonosaccharidefatty acidcarboxylic acid derivativeunsaturated fatty acidbeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acidketene1,2-diolalcoholbranched fatty acidorganic oxygen compoundynolatesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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