| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:19 UTC |
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| Update Date | 2025-03-21 18:06:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00062910 |
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| Frequency | 112.1 |
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| Structure | |
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| Chemical Formula | C14H17N3O3 |
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| Molecular Mass | 275.127 |
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| SMILES | NC(=O)CCC1N=C(O)C(Cc2ccccc2)N=C1O |
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| InChI Key | HFJWATQNEDWZFR-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativescyclic carboximidic acidsfatty amideshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amidespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundazacyclefatty amideorganic 1,3-dipolar compoundcarboxamide groupcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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