| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:09 UTC |
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| Update Date | 2025-03-25 00:47:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165082 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14O4 |
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| Molecular Mass | 174.0892 |
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| SMILES | CC=CC(O)(CO)CCC(=O)O |
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| InChI Key | FYDOITXWIAMHQD-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-diolsbranched fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound1,2-diol |
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