| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:06:24 UTC |
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| Update Date | 2025-03-24 14:11:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00785879 |
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| Frequency | 1.9 |
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| Structure | |
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| Chemical Formula | C6H8O3 |
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| Molecular Mass | 128.0473 |
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| SMILES | O=C(O)C=CC=CCO |
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| InChI Key | ARNIBUCBGMDXPN-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 acidsmonocarboxylic acids and derivativesorganic oxidesprimary alcoholsstraight chain fatty acidsunsaturated fatty acids |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupstraight chain fatty acidcarboxylic acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidprimary alcoholorganooxygen compound |
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