| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:42 UTC |
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| Update Date | 2025-03-21 18:40:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128755 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C7H10O7 |
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| Molecular Mass | 206.0427 |
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| SMILES | CC(O)C(=O)C(O)(CC(=O)O)C(=O)O |
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| InChI Key | PDIJFQWMYLFODJ-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 | acyloinsalpha hydroxy acids and derivativesalpha-hydroxy ketonesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmethyl-branched fatty acidsmonosaccharidesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativebeta-keto acidketonesaccharideorganic oxidehydroxy fatty acidalcoholmethyl-branched fatty acidhydroxy acidbranched fatty acidgamma-keto acidtertiary alcoholorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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