| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:05 UTC |
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| Update Date | 2025-03-25 00:49:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176391 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H27N3O9 |
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| Molecular Mass | 441.1747 |
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| SMILES | NCC1OC(CNc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)C(O)C(O)C1O |
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| InChI Key | CVPXCOXKSRLCBX-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdialkyl ethersdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmonoalkylaminesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminessecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylmonosaccharidedialkyl etherbenzamidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesalcoholn-acyl-alpha-amino acidhippuric acid or derivativesbenzoic acid or derivativesglutamic acid or derivativessecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amideorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativesphenylalkylaminehydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundamineorganooxygen compound |
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