| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:59 UTC |
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| Update Date | 2025-03-21 18:07:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066878 |
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| Frequency | 51.3 |
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| Structure | |
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| Chemical Formula | C10H13N3O |
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| Molecular Mass | 191.1059 |
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| SMILES | N=C(N)N=C(O)CCc1ccccc1 |
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| InChI Key | VDBNVLGNOVEOPB-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 | carboximidamideshydrocarbon derivativesiminesorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyimineorganic 1,3-dipolar compoundcarboximidamidepropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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