| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:49 UTC |
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| Update Date | 2025-03-21 18:01:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035697 |
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| Frequency | 99.6 |
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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 | CC(=O)C(C)=CC(=O)O |
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| InChI Key | LRRPKULXSOVRRZ-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 | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonescarboxylic acidsenoneshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | alpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha,beta-unsaturated ketonecarboxylic acid derivativeketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
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