| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:45:21 UTC |
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| Update Date | 2025-03-24 22:12:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02027354 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C7H6N2 |
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| Molecular Mass | 118.0531 |
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| SMILES | N=C=Nc1ccccc1 |
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| InChI Key | MDBAAYRCFODAFZ-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 homomonocyclic compounds |
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| Alternative Parents | carbodiimideshydrocarbon derivativesiminesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyimineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic 1,3-dipolar compoundcarbodiimideorganic nitrogen compoundpropargyl-type 1,3-dipolar organic compound |
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