| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:15 UTC |
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| Update Date | 2025-03-21 18:01:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034342 |
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| Frequency | 104.8 |
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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 | O=C(O)CCCCC1CCCO1 |
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| InChI Key | FSQDQVKAHBQFQO-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 heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkyl ethersheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupethercarboxylic acidtetrahydrofuranheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy aciddialkyl etheroxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundhydrocarbon derivativemedium-chain fatty acidorganoheterocyclic compoundorganooxygen compound |
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