| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:47 UTC |
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| Update Date | 2025-03-25 00:57:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226138 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27N3O7 |
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| Molecular Mass | 421.1849 |
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| SMILES | CC(=O)NC1CC(O)CC1CNc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1 |
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| InChI Key | UMRDMJUPSACMNQ-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 homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidscyclic alcohols and derivativescyclopentanolsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidbenzoylbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativescyclic alcoholsecondary aminecarboxamide groupsecondary aliphatic/aromatic aminecyclopentanolaromatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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