| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:21:49 UTC |
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| Update Date | 2025-03-24 20:17:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01399145 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C5H7N3O2 |
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| Molecular Mass | 141.0538 |
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| SMILES | Cc1c([N+](=O)[O-])cnn1C |
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| InChI Key | NYTRTJLAGHYGLE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | nitroaromatic compounds |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrazoles |
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| Substituents | nitroaromatic compoundaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpyrazolepropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganoheterocyclic compoundorganic hyponitriteazole |
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