| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:23 UTC |
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| Update Date | 2025-03-25 00:57:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223076 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H21N3O3 |
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| Molecular Mass | 339.1583 |
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| SMILES | NC(CCCCN1C(=O)c2ccccc2Nc2ccccc21)C(=O)O |
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| InChI Key | WKYQERDGFJMCHD-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-benzodiazepines1,4-diazepinesalpha amino acidsamino acidsamino fatty acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeslactamsmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary aminestertiary carboxylic acid amidesvinylogous amides |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidvinylogous amideazacyclesecondary aminecarboxamide groupamino fatty acid1,4-benzodiazepinemonocarboxylic acid or derivativespara-diazepineorganic oxygen compoundhydrocarbon derivativedibenzodiazepinebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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