| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:06 UTC |
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| Update Date | 2025-03-21 17:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008710 |
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| Frequency | 560.9 |
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| Structure | |
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| Chemical Formula | C7H12O5 |
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| Molecular Mass | 176.0685 |
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| SMILES | CCCC(O)(CC(=O)O)C(=O)O |
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| InChI Key | KLURIVUFKOVPER-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 | medium-chain hydroxy acids and derivatives |
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| Direct Parent | medium-chain hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsorganic oxidestertiary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidmethyl-branched fatty acidalpha-hydroxy acidfatty acidcarboxylic acid derivativebranched fatty acidmedium-chain hydroxy acidtertiary alcoholorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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