| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:04 UTC |
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| Update Date | 2025-03-21 18:04:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052930 |
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| Frequency | 61.3 |
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| Structure | |
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| Chemical Formula | C18H25NO6 |
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| Molecular Mass | 351.1682 |
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| SMILES | CC1C(Oc2ccc(CC(N)C(=O)O)cc2)OC(C(=O)O)C(C)C1C |
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| InChI Key | YIZOXYDGPCVVKZ-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 heteromonocyclic compounds |
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| Alternative Parents | acetalsalpha amino acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundsphenylpropanoic acidspyran carboxylic acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidpyran carboxylic acidorganic oxideacetalorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivativespyran carboxylic acid or derivativesoxacyclephenylalanine or derivativesorganic oxygen compoundpyrandicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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