| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:07 UTC |
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| Update Date | 2025-03-21 18:04:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048432 |
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| Frequency | 68.5 |
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| Structure | |
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| Chemical Formula | C11H15NO3 |
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| Molecular Mass | 209.1052 |
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| SMILES | CN(C)C(C(=O)O)C(O)c1ccccc1 |
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| InChI Key | KNHQIIOXSZDKTE-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsaromatic alcoholsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanoic acidssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidbeta-hydroxy acidorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholtertiary aliphatic aminehydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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