| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:22 UTC |
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| Update Date | 2025-03-25 01:01:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250258 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10N2O |
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| Molecular Mass | 174.0793 |
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| SMILES | O=C(c1cccnc1)C1CCC=N1 |
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| InChI Key | XJORGTAGCBBTBR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolines |
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| Subclass | pyrroline carboxylic acids and derivatives |
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| Direct Parent | pyrroline carboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesiminesorganic oxidesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyridines and derivatives |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundazacycleiminepyrroline carboxylic acid or derivativesheteroaromatic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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