| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:35 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250733 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O8 |
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| Molecular Mass | 236.0532 |
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| SMILES | O=C(O)CCC(O)(C(=O)O)C(O)C(=O)CO |
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| InChI Key | RAWWTMVXKPUXLI-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 acids and derivativesbeta-hydroxy ketonesbranched fatty acidscarboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmonosaccharidesorganic oxidessecondary alcoholstertiary alcohols |
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| Substituents | fatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidealpha-hydroxy ketonecarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxidehydroxy fatty acidalcoholhydroxy acidbranched fatty acidgamma-keto acidtertiary alcoholorganic oxygen compoundacyloinsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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