| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:18 UTC |
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| Update Date | 2025-03-21 18:03:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041632 |
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| Frequency | 82.4 |
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| Structure | |
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| Chemical Formula | C18H24N2O10 |
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| Molecular Mass | 428.1431 |
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| SMILES | O=C(O)CCC(NC(=O)c1ccc(NC2C(O)OC(CO)C(O)C2O)cc1)C(=O)O |
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| InChI Key | NCLOTOWFWYBVOT-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 acidsdicarboxylic acids and derivativeshemiacetalshippuric 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 compoundhemiacetaloxaneprimary alcoholorganoheterocyclic 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 derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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