| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:10 UTC |
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| Update Date | 2025-03-25 00:47:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165145 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O4 |
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| Molecular Mass | 168.0423 |
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| SMILES | CC=CC(=O)C(=O)C=CC(=O)O |
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| InChI Key | WXVDNNFENRABCK-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 | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha-diketonescarboxylic acidsenoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha,beta-unsaturated ketonecarboxylic acid derivativealpha-diketoneketoneunsaturated fatty acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidacryloyl-grouporganooxygen compoundenone |
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