| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:22:32 UTC |
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| Update Date | 2025-03-21 19:12:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00256554 |
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| Frequency | 8.1 |
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| Structure | |
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| Chemical Formula | C6H8O4 |
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| Molecular Mass | 144.0423 |
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| SMILES | CCC(=O)C(O)=CC(=O)O |
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| InChI Key | PTZTUTDQURRPQJ-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 | acryloyl compoundsalpha-branched alpha,beta-unsaturated ketonesalpha-hydroxy ketonescarboxylic acidsenoneshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesunsaturated fatty acidsvinylogous acids |
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| Substituents | fatty acylalpha-branched alpha,beta-unsaturated-ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidfatty acidalpha,beta-unsaturated ketonealpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketoneunsaturated fatty acidvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidacryloyl-grouporganooxygen compoundenone |
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