| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:37 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154944 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | CC(=O)C(O)C(O)C=CCC(=O)O |
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| InChI Key | RDZUFLHWMLDJND-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-diolsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonescarboxylic acidsfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonesaccharideorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholacyloinsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound1,2-diol |
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