| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:51 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9NO4 |
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| Molecular Mass | 195.0532 |
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| SMILES | COc1ccc(C(O)=C[N+](=O)[O-])cc1 |
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| InChI Key | POXIRBACIMMJFG-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 | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersc-nitro compoundshydrocarbon derivativesmethoxybenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | monocyclic benzene moietyetherallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundalkyl aryl ethermethoxybenzeneorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolec-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumphenoxy compoundorganooxygen compoundorganic hyponitrite |
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