| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:57 UTC |
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| Update Date | 2025-03-25 00:47:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164611 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO3 |
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| Molecular Mass | 167.0582 |
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| SMILES | CC(O)c1ccccc1[N+](=O)[O-] |
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| InChI Key | DSDBYQDNNWCLHL-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 | benzene and substituted derivatives |
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| Subclass | nitrobenzenes |
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| Direct Parent | nitrobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholshydrocarbon derivativesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | nitroaromatic compoundaromatic alcoholalcoholallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganooxygen compoundorganic hyponitritenitrobenzene |
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