| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:43 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170937 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O4 |
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| Molecular Mass | 212.0797 |
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| SMILES | CNCC(O)c1ccc(ON=O)c(O)c1 |
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| InChI Key | UTBGDGFJNDISET-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 | phenoxy compounds |
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| Direct Parent | phenoxy compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsdialkylamineshydrocarbon derivativesnitrite estersorganic o-nitroso compoundsorganic nitritesorganic oxidesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcohol1-hydroxy-2-unsubstituted benzenoidorganic oxideorganonitrogen compoundorganopnictogen compoundnitrite esteralcoholsecondary aliphatic amineorganic nitroso compound1-hydroxy-4-unsubstituted benzenoidsecondary amineorganic nitritearomatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamineorganic o-nitroso compound |
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