| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:09 UTC |
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| Update Date | 2025-03-25 00:56:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220232 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20N4O3 |
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| Molecular Mass | 304.1535 |
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| SMILES | COc1ccc2ncnc(NCCCCC(N)C(=O)O)c2c1 |
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| InChI Key | GWMSHZOEBRKYPH-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 | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolinamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidsamino fatty acidsanisolesazacyclic compoundscarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativesimidolactamsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspyrimidines and pyrimidine derivativessecondary alkylarylamines |
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| Substituents | fatty acylphenol ethercarbonyl groupethercarboxylic acidamino acid or derivativesamino acidheterocyclic fatty acidfatty acidalpha-amino acid or derivativesalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidimidolactamazacycleheteroaromatic compoundsecondary amineamino fatty acidsecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundanisolequinazolinaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamine |
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