| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:57 UTC |
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| Update Date | 2025-03-21 18:33:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097981 |
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| Frequency | 28.1 |
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| Structure | |
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| Chemical Formula | C9H14O5 |
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| Molecular Mass | 202.0841 |
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| SMILES | O=C(O)CC(O)CCC1CCC(=O)O1 |
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| InChI Key | XPXMOPGUBIEPHN-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 | beta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactonesheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsorganic oxidesoxacyclic compoundssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidlactonebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholtetrahydrofurangamma butyrolactoneoxacycleorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganooxygen compound |
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