| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:29 UTC |
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| Update Date | 2025-03-25 00:57:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223303 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H19NO7 |
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| Molecular Mass | 337.1162 |
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| SMILES | NC(Cc1ccc(O)cc1)C(=O)OC1C=C(C(=O)O)CC(O)C1O |
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| InChI Key | UGLRFCZWYCBUQE-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalpha amino acid estersalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidscyclitols and derivativesdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivatives1,2-diolalcoholtyrosine or derivativesalpha-amino acid estercyclitol or derivativesaromatic homomonocyclic compoundfatty acid esterphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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