| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:38 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202679 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O3 |
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| Molecular Mass | 220.0848 |
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| SMILES | O=C(O)CNCC1C(O)=Nc2ccccc21 |
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| InChI Key | ZQPWAHSLQCLUGW-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 | 3-alkylindolesamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidindole3-alkylindolepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic amineazacycleindole or derivativesorganic 1,3-dipolar compoundsecondary aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganooxygen compoundamine |
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