| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:56 UTC |
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| Update Date | 2025-03-25 00:47:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160056 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6N2O3 |
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| Molecular Mass | 142.0378 |
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| SMILES | O=[N+]([O-])c1[nH]ccc1CO |
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| InChI Key | YQKMGCSDOHBSOV-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 | aromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | nitroaromatic compoundaromatic alcoholalcoholaromatic heteromonocyclic compoundazacycleheteroaromatic compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganoheterocyclic compoundorganooxygen compoundorganic hyponitrite |
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