| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:21 UTC |
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| Update Date | 2025-03-21 18:41:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134831 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C11H9N3O |
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| Molecular Mass | 199.0746 |
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| SMILES | O=C1CN=C(c2c[nH]c3ccccc23)N1 |
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| InChI Key | AYFUENPDFLLYOB-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazolinonesindolesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | carbonyl groupindolepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundimidazolinoneorganoheterocyclic compoundazacycleheteroaromatic compoundindole or derivativesorganic 1,3-dipolar compoundcarboximidamideorganic oxygen compound2-imidazolineimidazolinepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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