| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:22 UTC |
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| Update Date | 2025-03-21 18:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027516 |
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| Frequency | 137.8 |
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| Structure | |
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| Chemical Formula | C8H6N2O2 |
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| Molecular Mass | 162.0429 |
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| SMILES | O=[N+]([O-])c1c[nH]c2ccccc12 |
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| InChI Key | LSMXNZJFLGIPMS-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrroles |
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| Substituents | nitroaromatic compoundazacycleindoleheteroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundc-nitro compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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