| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:49 UTC |
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| Update Date | 2025-03-25 00:50:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178134 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7NO5 |
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| Molecular Mass | 209.0324 |
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| SMILES | COC(=O)c1ccccc1C(=O)ON=O |
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| InChI Key | NQRLVMFHBYMEAB-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acid saltsdicarboxylic acids and derivativeshydrocarbon derivativesmethyl estersorganic o-nitroso compoundsorganic nitritesorganic nitrogen compoundsorganic oxidesorganic saltsorganooxygen compounds |
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| Substituents | organic nitroso compoundbenzoylbenzoate estercarboxylic acid derivativeorganic nitritearomatic homomonocyclic compoundorganic oxidemethyl esterorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganic saltcarboxylic acid saltorganooxygen compoundorganic o-nitroso compound |
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