| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:56:47 UTC |
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| Update Date | 2025-03-24 14:39:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00906521 |
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| Frequency | 1.6 |
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| Structure | |
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| Chemical Formula | C6H6N2O2 |
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| Molecular Mass | 138.0429 |
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| SMILES | O=[N+]([O-])Cc1cccnc1 |
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| InChI Key | JGELWXLSUMLGMV-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 | pyridines and derivatives |
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| Subclass | pyridines and derivatives |
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| Direct Parent | pyridines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsc-nitro compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidepyridineorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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