| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:45 UTC |
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| Update Date | 2025-03-25 00:53:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H17N3O2 |
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| Molecular Mass | 307.1321 |
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| SMILES | O=C(O)C1CCCN1C1=Nc2ccccc2Nc2ccccc21 |
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| InChI Key | PZHYANZMHOPTGD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodiazepines |
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| Subclass | dibenzodiazepines |
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| Direct Parent | dibenzodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-benzodiazepinesalpha amino acidsamidinesamino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesimidolactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsproline and derivativespropargyl-type 1,3-dipolar organic compoundspyrrolidine carboxylic acidssecondary amines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativesamidinecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundpyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineimidolactamproline or derivativesazacycleorganic 1,3-dipolar compoundsecondary amine1,4-benzodiazepinemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativedibenzodiazepinebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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