| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:34 UTC |
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| Update Date | 2025-03-25 00:54:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02209486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O4 |
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| Molecular Mass | 267.1219 |
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| SMILES | CC1=C(C(N)=O)CC(=CC=NC(C(=O)O)C(C)O)N1 |
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| InChI Key | CGKBFDZQQFUNLX-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesamino acidsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylaminesfatty acylsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary alcoholsshort-chain hydroxy acids and derivativesvinylogous amides |
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| Substituents | primary carboxylic acid amidefatty acylcarbonyl groupcarboxylic acidshort-chain hydroxy acidamino acidheterocyclic fatty acidiminepropargyl-type 1,3-dipolar organic compoundaldiminebeta-hydroxy acidorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amidesecondary aliphatic amineazacycleorganic 1,3-dipolar compoundhydroxy acidsecondary aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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