| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:11 UTC |
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| Update Date | 2025-03-25 00:55:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210962 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O5 |
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| Molecular Mass | 254.0903 |
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| SMILES | CC(=O)NC(CO)Cc1ccc(O)c([N+](=O)[O-])c1 |
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| InChI Key | OVPRYKDEHBVNPD-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesnitrophenolsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
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| Substituents | carbonyl groupallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumprimary alcoholnitrophenolacetamideamphetamine or derivativesnitrobenzenenitroaromatic compoundalcoholorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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