| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:13 UTC |
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| Update Date | 2025-03-21 18:37:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115736 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C13H17NO |
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| Molecular Mass | 203.131 |
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| SMILES | CCCCC=CC(=O)c1ccccc1N |
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| InChI Key | RRQVNQWCAKEISA-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 | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha,beta-unsaturated ketonesaryl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidebenzoylalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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