| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:45 UTC |
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| Update Date | 2025-03-21 17:57:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007893 |
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| Frequency | 628.7 |
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| Structure | |
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| Chemical Formula | C9H16O3 |
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| Molecular Mass | 172.1099 |
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| SMILES | CCCCCC=CC(O)C(=O)O |
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| InChI Key | VIJNGWOPEMJZHI-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 acidsfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholsecondary alcoholhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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