| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:36 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097061 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C10H13NO3 |
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| Molecular Mass | 195.0895 |
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| SMILES | CC(C)(C)c1ccc(O)c([N+](=O)[O-])c1 |
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| InChI Key | IHGNADPMUSNTJW-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 | phenols |
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| Subclass | nitrophenols |
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| Direct Parent | nitrophenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compounds |
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| Substituents | nitroaromatic compoundmonocyclic benzene moietyallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundphenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumnitrophenolorganooxygen compoundorganic hyponitritenitrobenzene |
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