| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:34 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241403 |
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| Frequency | 0.5 |
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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 | CC(O)(CCC(=O)CO)C(=O)O |
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| InChI Key | LREFGHMOLAUHCG-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 derivativesalpha-hydroxy ketonescarboxylic acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmethyl-branched fatty acidsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidestertiary alcohols |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidmonosaccharidefatty acidalpha-hydroxy ketonecarboxylic acid derivativemedium-chain hydroxy acidketonesaccharideorganic oxidemedium-chain fatty acidhydroxy fatty acidalcoholmethyl-branched fatty acidbranched fatty acidtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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