| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:39 UTC |
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| Update Date | 2025-03-25 00:51:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H22N2O3 |
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| Molecular Mass | 254.163 |
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| SMILES | CC(C)CC1N=C(CCCCC(=O)O)CN=C1O |
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| InChI Key | CXKBNSRIXIVKSX-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 compoundsbranched fatty acidscarbonyl compoundscarboxylic acidscyclic carboximidic acidsheterocyclic fatty acidshydrocarbon derivativesketiminesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | fatty acylketiminecarbonyl groupcarboxylic acidheterocyclic fatty acidiminefatty 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 acidbranched fatty acidmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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