| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:27 UTC |
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| Update Date | 2025-03-25 00:47:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161176 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27N5O4 |
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| Molecular Mass | 401.2063 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)N1CCN(Cc2nc(CCC(=O)O)c[nH]2)CC1 |
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| InChI Key | GIHCSNTWJNVRIT-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesaralkylaminesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkylaminesmonocarboxylic acids and derivativesn-alkylpiperazinesorganic oxidesorganopnictogen compoundstertiary carboxylic acid amidestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acid1-hydroxy-2-unsubstituted benzenoidaralkylamineorganic oxidepiperazineimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary amineorganoheterocyclic compoundamphetamine or derivativesazolealpha-amino acid amideazacyclen-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminecarboxamide groupmonocarboxylic acid or derivativesorganic oxygen compound1,4-diazinanephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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