| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:41 UTC |
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| Update Date | 2025-03-21 18:02:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037831 |
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| Frequency | 92.9 |
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| Structure | |
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| Chemical Formula | C14H17NO6 |
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| Molecular Mass | 295.1056 |
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| SMILES | O=C(NC(Cc1ccc(O)cc1)C(=O)O)OC1CCOC1 |
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| InChI Key | IXCHKUNUMITZGA-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 benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbamate esterscarbonyl compoundscarboxylic acidsdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalanine and derivativesphenylpropanoic acidstetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoiddialkyl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativescarbonic acid derivativetyrosine or derivativestetrahydrofurancarbamic acid esteroxacyclemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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