| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:19 UTC |
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| Update Date | 2025-03-25 00:58:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234001 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO8 |
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| Molecular Mass | 357.1424 |
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| SMILES | COc1cc(CC(N)C(=O)OC2CC(O)C(O)C(O)C2O)ccc1O |
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| InChI Key | CHQIPTFWXJTJBN-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 acid estersalpha amino acidsanisolescarbonyl compoundscarboxylic acid esterscyclitols and derivativescyclohexanolsfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxylated amphetaminesmethoxyphenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylalanine and derivatives |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalcoholtyrosine or derivativesalpha-amino acid estermethoxylated amphetaminecyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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