| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:43 UTC |
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| Update Date | 2025-03-25 00:54:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209834 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O2 |
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| Molecular Mass | 259.1321 |
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| SMILES | CC(N)C=NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | VWPRFFIYDJIIRA-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 heteropolycyclic compounds |
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| Alternative Parents | aldiminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | carbonyl groupcarboxylic acidindoleiminepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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