| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:08 UTC |
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| Update Date | 2025-03-21 18:30:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081723 |
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| Frequency | 35.4 |
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| Structure | |
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| Chemical Formula | C7H10O5 |
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| Molecular Mass | 174.0528 |
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| SMILES | COC(=O)CCC(=O)CC(=O)O |
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| InChI Key | IHBUAENGCWPFKO-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 acid methyl estersgamma-keto acids and derivativeshydrocarbon derivativesmethyl estersorganic oxides |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebeta-keto acidgamma-keto acidketonefatty acid esterorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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