| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:24 UTC |
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| Update Date | 2025-03-25 01:01:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250304 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13N3O3 |
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| Molecular Mass | 247.0957 |
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| SMILES | O=C(O)CNCC(=O)Nc1c[nH]c2ccccc12 |
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| InChI Key | LNCHDDQWYHBJBU-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 acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidamino acidindolen-arylamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundsecondary aliphatic aminealpha-amino acid amideazacycleheteroaromatic compoundindole or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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