| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:52 UTC |
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| Update Date | 2025-03-25 00:51:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187367 |
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| Frequency | 0.5 |
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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 | CC(=O)OCC(=O)CC(O)C(=O)O |
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| InChI Key | OKOYBVVHIWDGQM-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 | gamma-keto acids and derivatives |
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| Direct Parent | gamma-keto acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesalpha-acyloxy ketonesbeta-hydroxy ketonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativeshydroxy fatty acidsorganic oxidessecondary alcoholsshort-chain keto acids and derivatives |
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| Substituents | alcoholfatty acylbeta-hydroxy ketonealiphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-acyloxy ketonealpha-hydroxy acidshort-chain keto acidhydroxy acidcarboxylic acid derivativegamma-keto acidketoneorganic oxideorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativehydroxy fatty acidorganooxygen compound |
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