| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:36 UTC |
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| Update Date | 2025-03-25 00:48:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02168379 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H18O4 |
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| Molecular Mass | 190.1205 |
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| SMILES | CC(C)C(C)OC(C(=O)O)C(C)O |
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| InChI Key | UKOYDBGCNKPGHZ-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 | branched fatty acidscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcoholsshort-chain hydroxy acids and derivatives |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupethercarboxylic acidshort-chain hydroxy acidfatty acidcarboxylic acid derivativebranched fatty aciddialkyl etherbeta-hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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