| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:54 UTC |
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| Update Date | 2025-03-25 00:59:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235408 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5NO4 |
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| Molecular Mass | 179.0219 |
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| SMILES | O=[N+]([O-])c1cc2ccoc2cc1O |
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| InChI Key | UJWDQZARENUTHH-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 | benzofurans |
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| Subclass | benzofurans |
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| Direct Parent | benzofurans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzenoidsfuransheteroaromatic compoundshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundfuranbenzofuranheteroaromatic compoundallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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