| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:09 UTC |
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| Update Date | 2025-03-25 00:45:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151491 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H20N4O5 |
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| Molecular Mass | 420.1434 |
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| SMILES | N#Cc1ccc2[nH]cc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2c1 |
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| InChI Key | GAAFNDSTVRCAOB-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 | alpha amino acidsamino acidsazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshippuric acids and derivativeshydrocarbon derivativesindolesn-acyl-alpha amino acidsnitrilesorganic oxidesorganopnictogen compoundsphenylalkylaminespyrrolessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupnitrilecarboxylic acidamino acidindolebenzoylbenzamideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundcarbonitrileorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesazacyclen-acyl-alpha-amino acidhippuric acid or derivativesheteroaromatic compoundindole or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic aminesecondary carboxylic acid amideorganic oxygen compoundpyrroledicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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