| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:56 UTC |
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| Update Date | 2025-03-25 00:52:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191981 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O8 |
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| Molecular Mass | 396.1533 |
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| SMILES | CC(=O)NC1C(O)CC(OC(=O)NC(Cc2ccccc2)C(=O)O)C(O)C1O |
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| InChI Key | KPSDZTXAIUICFR-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbamate esterscarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesalcoholcarbonic acid derivativecyclohexanolcarbamic acid estercyclitol or derivativescyclic alcoholcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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