| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:54 UTC |
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| Update Date | 2025-03-25 00:53:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203300 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O7 |
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| Molecular Mass | 220.0583 |
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| SMILES | O=C(O)CCC(=O)C(O)(CO)CC(=O)O |
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| InChI Key | JJGDYVGTHNOIKN-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 | 1,2-diolsacyloinsalpha-hydroxy ketonesbeta-hydroxy ketonesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsorganic oxidestertiary alcohols |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy ketonecarboxylic acid derivativebranched fatty acidgamma-keto acidketonetertiary alcoholorganic oxideorganic oxygen compoundacyloindicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound1,2-diolmedium-chain keto acid |
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