| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:13 UTC |
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| Update Date | 2025-03-21 18:41:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136834 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C7H8O6 |
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| Molecular Mass | 188.0321 |
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| SMILES | O=C(O)CC(=O)C=C(O)CC(=O)O |
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| InChI Key | FVZHVIIXHLJOCY-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 | keto acids and derivatives |
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| Subclass | medium-chain keto acids and derivatives |
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| Direct Parent | medium-chain keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesenoneshydrocarbon derivativesorganic oxidesvinylogous acidsb'-hydroxy-alpha,beta-unsaturated ketones |
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| Substituents | beta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidb'-hydroxy-alpha,beta-unsaturated-ketonealpha,beta-unsaturated ketonecarboxylic acid derivativebeta-keto acidketonevinylogous acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-grouporganooxygen compoundenonemedium-chain keto acid |
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