| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:07 UTC |
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| Update Date | 2025-03-21 18:32:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093519 |
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| Frequency | 29.8 |
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| Structure | |
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| Chemical Formula | C7H8O5 |
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| Molecular Mass | 172.0372 |
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| SMILES | O=C(O)C=CCC(=O)CC(=O)O |
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| InChI Key | LWQFTBNBVNJBIY-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 | beta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidketoneunsaturated fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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