| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:51 UTC |
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| Update Date | 2025-03-25 00:51:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184954 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO2 |
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| Molecular Mass | 203.0946 |
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| SMILES | N#Cc1ccccc1CCCCC(=O)O |
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| InChI Key | MMCAPRPDOZFPRK-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 acidsbenzonitrilescarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbocyclic fatty acidmonocyclic benzene moietycarbonyl groupnitrilecarboxylic acidcarboxylic acid derivativeamino fatty acidbenzonitrilearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativemedium-chain fatty acidbenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compound |
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