| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:50 UTC |
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| Update Date | 2025-03-25 00:52:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191756 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27N3O10 |
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| Molecular Mass | 469.1696 |
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| SMILES | CC(=O)NC1C(Nc2cccc(C(=O)NC(CCC(=O)O)C(=O)O)c2)OC(CO)C(O)C1O |
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| InChI Key | SCXMPXBPZJTDNB-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 | acetamidesalpha amino acidsamino acidsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshippuric acids and derivativeshydrocarbon derivativesmonosaccharidesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylalkylaminesprimary alcoholssecondary alcoholssecondary alkylarylaminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundamino acidbenzoylmonosaccharidebenzamidesaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundacetamiden-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 derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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