| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:17 UTC |
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| Update Date | 2025-03-25 00:54:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2 |
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| Molecular Mass | 174.1157 |
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| SMILES | c1ccc(CCC2=NCCN2)cc1 |
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| InChI Key | CPMMXSDLEOJRHI-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 | amidinesazacyclic compoundscarboximidamideshydrocarbon derivativesimidazolinesimidolactamsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundamidinecarboximidamidepropargyl-type 1,3-dipolar organic compound2-imidazolineimidazolineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundimidolactamorganoheterocyclic compound |
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