| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:47 UTC |
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| Update Date | 2025-03-25 00:46:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157529 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO8 |
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| Molecular Mass | 313.0798 |
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| SMILES | O=C(O)CN(CC(=O)O)C(Cc1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | KZGISSPSLHLFSA-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsamino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidstrialkylaminestricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativesorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary amineamphetamine or derivativestyrosine or derivativestertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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