| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:43 UTC |
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| Update Date | 2025-03-25 00:57:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO5 |
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| Molecular Mass | 315.1107 |
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| SMILES | NC(CC(=O)c1cc2ccccc2cc1CCC(=O)O)C(=O)O |
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| InChI Key | QWTYYMRLVMAVOE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | butyrophenones |
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| Direct Parent | butyrophenones |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | alpha amino acidsaryl alkyl ketonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesnaphthalenesorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic homopolycyclic compoundalpha-amino acid or derivativescarboxylic acid derivativegamma-keto acidketonebutyrophenoneorganic oxidenaphthaleneorganic oxygen compoundketo acidorganonitrogen compoundalpha-amino aciddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compoundaryl ketone |
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