| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:28 UTC |
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| Update Date | 2025-03-25 00:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223279 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO2 |
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| Molecular Mass | 221.1416 |
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| SMILES | NCC(CCCC(=O)O)Cc1ccccc1 |
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| InChI Key | ZBUMMYFLVKHTKS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | carbocyclic fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino fatty acidsbenzene and substituted derivativesbranched fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidcarboxylic acid derivativeamino fatty acidbranched fatty acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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