| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:03:21 UTC |
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| Update Date | 2025-03-21 22:07:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00493236 |
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| Frequency | 3.5 |
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| Structure | |
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| Chemical Formula | C6H8O2 |
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| Molecular Mass | 112.0524 |
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| SMILES | CC=C=C(C)C(=O)O |
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| InChI Key | RNPULCKFCPDVIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | methyl-branched fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativeunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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