| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:40 UTC |
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| Update Date | 2025-03-21 18:02:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037770 |
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| Frequency | 182.2 |
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| Structure | |
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| Chemical Formula | C11H15NO |
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| Molecular Mass | 177.1154 |
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| SMILES | CCCN=C(O)c1ccccc1C |
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| InChI Key | GYZQPZPWICRXQY-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundtolueneorganooxygen compound |
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