| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:12 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233740 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | CCC(=O)C(CC(=O)O)C(=O)OC |
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| InChI Key | FHWHUDJQXOEXMJ-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 | 1,3-dicarbonyl compoundsbeta-keto acids and derivativesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesketonesmethyl estersorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativebranched fatty acidbeta-keto acidgamma-keto acidketonefatty acid esterorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivative1,3-dicarbonyl compoundorganooxygen compoundmedium-chain keto acid |
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