| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:43 UTC |
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| Update Date | 2025-03-21 18:40:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131189 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C12H17NO2 |
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| Molecular Mass | 207.1259 |
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| SMILES | COC(=O)CCC(N)Cc1ccccc1 |
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| InChI Key | GNTXIYNIBVBPJG-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amphetamines and derivativesbenzene and substituted derivativescarbonyl compoundsfatty acid methyl estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupgamma amino acid or derivativesaromatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesfatty acid methyl estermethyl esterorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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