| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:09 UTC |
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| Update Date | 2025-03-21 18:03:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046101 |
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| Frequency | 72.8 |
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| Structure | |
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| Chemical Formula | C7H10O6 |
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| Molecular Mass | 190.0477 |
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| SMILES | O=C(O)CCC(=O)CC(O)C(=O)O |
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| InChI Key | IFWNDOFVWRVMEU-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 | alpha hydroxy acids and derivativesbeta-hydroxy ketonescarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidhydroxy acidcarboxylic acid derivativegamma-keto acidketoneorganic oxideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compoundmedium-chain keto acid |
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