| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:11 UTC |
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| Update Date | 2025-03-21 18:41:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134470 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C7H12O4 |
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| Molecular Mass | 160.0736 |
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| SMILES | COC(=O)CC(C)(C)C(=O)O |
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| InChI Key | MUXJXSWYXDORJN-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 | hydroxy acids and derivatives |
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| Subclass | short-chain hydroxy acids and derivatives |
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| Direct Parent | short-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid methyl estershydrocarbon derivativesmethyl estersmethyl-branched fatty acidsorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidshort-chain hydroxy acidcarboxylic acid derivativebranched fatty acidfatty acid esterorganic oxidefatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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