| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:48 UTC |
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| Update Date | 2025-03-21 18:34:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100013 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C15H19NO6 |
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| Molecular Mass | 309.1212 |
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| SMILES | CC(C)C(NC(OC(=O)Cc1ccccc1)C(=O)O)C(=O)O |
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| InChI Key | QCKYJZVWXQHGSS-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 | valine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstricarboxylic acids and derivatives |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietycarbonyl groupcarboxylic acidamino acidvaline or derivativestricarboxylic acid or derivativessecondary aminearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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