| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:31 UTC |
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| Update Date | 2025-03-25 00:45:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02150005 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O2 |
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| Molecular Mass | 272.1525 |
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| SMILES | CC(N=CC=C1N(C)c2ccccc2C1(C)C)C(=O)O |
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| InChI Key | QIBTWJVELVOBFU-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aldiminesalpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsenamineshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundstertiary alkylarylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acidimineindolepropargyl-type 1,3-dipolar organic compoundaldimineorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundazacycleindole or derivativesorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundenamine |
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