| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:20 UTC |
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| Update Date | 2025-03-25 01:00:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243164 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H23N3O7 |
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| Molecular Mass | 441.1536 |
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| SMILES | C=CC1=C(C)C(=CC2=NC(=CC=NC(CC(=O)O)C(=O)O)C(CCC(=O)O)=C2C)NC1=O |
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| InChI Key | WDCXBBFSJDKHGF-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolinessecondary carboxylic acid amidestricarboxylic acids and derivatives |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidiminetricarboxylic acid or derivativespropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidealiphatic heteromonocyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolineaspartic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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