| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:37 UTC |
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| Update Date | 2025-03-21 18:41:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135452 |
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| Frequency | 18.5 |
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| Structure | |
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| Chemical Formula | C10H7NO3 |
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| Molecular Mass | 189.0426 |
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| SMILES | O=[N+]([O-])c1cccc2c(O)cccc12 |
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| InChI Key | RIXNIZKEKXPLIT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | nitronaphthalenes |
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| Direct Parent | nitronaphthalenes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesnaphthols and derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidaromatic homopolycyclic compoundorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxide1-nitronaphthaleneorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative1-naphtholorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitrite |
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