Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:00 UTC |
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Update Date | 2025-03-21 18:35:23 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105431 |
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Frequency | 25.6 |
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Structure | |
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Chemical Formula | C9H18O3 |
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Molecular Mass | 174.1256 |
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SMILES | CCC(C)CC(C)(O)CC(=O)O |
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InChI Key | SMUUTOAKVMQCMR-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesorganic oxidestertiary alcohols |
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Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidfatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidtertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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