| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:18 UTC |
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| Update Date | 2025-03-21 18:35:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103726 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C21H23N3O6 |
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| Molecular Mass | 413.1587 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(NCC2COc3ccccc3N2)cc1)C(=O)O |
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| InChI Key | ULOIMNSGTRVPFM-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsamino acidsazacyclic compoundsbenzomorpholinesbenzoxazinesbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidbenzoylalkyl aryl etherbenzomorpholinebenzamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesbenzoxazinebenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupoxazinanesecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amidemorpholineorganic oxygen compounddicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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