| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:56 UTC |
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| Update Date | 2025-03-21 18:39:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124487 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C15H20ClNO3 |
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| Molecular Mass | 297.1132 |
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| SMILES | NCC1(CC(=O)O)CCC(O)(c2ccc(Cl)cc2)CC1 |
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| InChI Key | YZORNMRTOULILY-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 | aryl chloridescarbonyl compoundscarboxylic acidschlorobenzenescyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidgamma amino acid or derivativesorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcoholcyclohexanolcyclic alcoholaryl halidearomatic homomonocyclic compoundtertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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