| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:28 UTC |
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| Update Date | 2025-03-21 17:58:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016403 |
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| Frequency | 260.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O3 |
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| Molecular Mass | 210.1004 |
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| SMILES | COc1cc(CC(N)C(N)=O)ccc1O |
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| InChI Key | RZQGGQZFMOWMIZ-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 benzenoidsalkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acids and derivativesfatty amideshydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivativesprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylphenol ethermonocyclic benzene moietycarbonyl groupetherfatty amide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativestyrosine or derivativesmethoxylated amphetaminecarboxamide groupmethoxybenzenearomatic homomonocyclic compoundphenylalanine or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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