| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:29 UTC |
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| Update Date | 2025-03-25 00:57:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225496 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | CC(=O)OCC(=O)CC(C)C(=O)O |
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| InChI Key | XZCDCAKTFBPLGV-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-acyloxy ketonescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acylshydrocarbon derivativesketonesmethyl-branched fatty acidsorganic oxidesshort-chain keto acids and derivatives |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha-acyloxy ketoneshort-chain keto acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxideorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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