| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:26 UTC |
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| Update Date | 2025-03-21 18:37:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113826 |
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| Frequency | 36.1 |
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| Structure | |
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| Chemical Formula | C12H17N3O2 |
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| Molecular Mass | 235.1321 |
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| SMILES | NC(=NCCCC(N)C(=O)O)c1ccccc1 |
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| InChI Key | JKCJUPOKVADFSE-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amidinesbenzene and substituted derivativescarbonyl compoundscarboximidamidescarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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