| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:10 UTC |
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| Update Date | 2025-03-25 00:51:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9N5O2 |
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| Molecular Mass | 255.0756 |
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| SMILES | Nc1nc(=O)c2nc(-c3ccccc3)c(N)nc2o1 |
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| InChI Key | PQPOLKCWKXEMAF-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 | diazines |
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| Subclass | pyrazines |
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| Direct Parent | pyrazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsprimary amines |
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| Substituents | monocyclic benzene moietyazacycleheteroaromatic compoundoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrazineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compound |
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