| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:12 UTC |
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| Update Date | 2025-03-21 18:36:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00113246 |
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| Frequency | 23.4 |
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| Structure | |
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| Chemical Formula | C18H17NO9 |
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| Molecular Mass | 391.0903 |
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| SMILES | O=C(O)C1=CC(=CC=NC(Cc2ccc(O)c(O)c2)C(=O)O)OC(C(=O)O)C1 |
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| InChI Key | QCILNIFEBRTCAW-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaldiminesalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compoundspyran carboxylic acidstricarboxylic acids and derivatives |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidimine1-hydroxy-2-unsubstituted benzenoidtricarboxylic acid or derivativespyran carboxylic acidpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativespyran carboxylic acid or derivativestyrosine or derivativesorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidoxacyclephenylalanine or derivativesorganic oxygen compoundpyranphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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