| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:54 UTC |
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| Update Date | 2025-03-25 00:49:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02173646 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O5 |
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| Molecular Mass | 202.0841 |
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| SMILES | CCC(CC(C)=O)(CC(=O)O)C(=O)O |
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| InChI Key | KCXDDBMZWXDBAV-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 | carboxylic acidsdicarboxylic acids and derivativesfatty acylsgamma-keto acids and derivativeshydrocarbon derivativesketonesmethyl-branched fatty acidsorganic oxides |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidcarboxylic acid derivativebranched fatty acidgamma-keto acidketoneorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compoundmedium-chain keto acid |
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