| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:07 UTC |
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| Update Date | 2025-03-21 18:39:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124926 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C18H19NO6 |
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| Molecular Mass | 345.1212 |
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| SMILES | COc1cc(C=NC(Cc2ccc(O)c(OC)c2)C(=O)O)ccc1O |
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| InChI Key | FTWPVYHWOIOXAB-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 benzenoidsaldiminesalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid3-phenylpropanoic-acidimine1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherpropargyl-type 1,3-dipolar organic compoundaldimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativesmethoxylated amphetamineorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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