| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:46 UTC |
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| Update Date | 2025-03-25 00:58:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232759 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO2 |
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| Molecular Mass | 205.1103 |
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| SMILES | CCC(C(=O)O)N1CCc2ccccc21 |
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| InChI Key | OVAHGWFSWLJLTR-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylamineshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acidindoleorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary amineorganoheterocyclic compoundazacycleindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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