| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:09 UTC |
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| Update Date | 2025-03-21 18:02:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00036521 |
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| Frequency | 96.8 |
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| Structure | |
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| Chemical Formula | C8H12O5 |
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| Molecular Mass | 188.0685 |
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| SMILES | O=C(O)CCCC=CC(O)C(=O)O |
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| InChI Key | BUYPZLAMGANMIO-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 derivativesfatty alcoholshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidalpha-hydroxy acidcarboxylic acid derivativemedium-chain hydroxy acidorganic oxideorganic oxygen compoundfatty alcoholsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidorganooxygen compound |
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