| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:48 UTC |
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| Update Date | 2025-03-25 00:56:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19N3O4 |
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| Molecular Mass | 317.1376 |
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| SMILES | CC(O)C1NC(=CC=NC(Cc2ccccc2)C(=O)O)N=C1O |
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| InChI Key | HAJYIRJHZMEVKY-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsamphetamines and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic carboximidic acidsdialkylamineshydrocarbon derivativesimidazolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidamino acidiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesalcoholsecondary aliphatic amineazacycleorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundimidazolinesecondary alcohol3-imidazolinehydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundamine |
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