| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:43 UTC |
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| Update Date | 2025-03-25 01:01:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251066 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H19NO5 |
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| Molecular Mass | 257.1263 |
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| SMILES | O=C(O)CCCCC1CC(CCC(=O)O)C(O)=N1 |
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| InChI Key | SPNBCICLENMUAE-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 | amino fatty acidsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic carboximidic acidsdicarboxylic acids and derivativesheterocyclic fatty acidshydrocarbon derivativesmedium-chain fatty acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolines |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acidfatty acidcarboxylic acid derivativemedium-chain hydroxy acidpropargyl-type 1,3-dipolar organic compoundorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundamino fatty acidpyrrolineorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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