| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:51 UTC |
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| Update Date | 2025-03-25 00:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO5 |
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| Molecular Mass | 213.0637 |
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| SMILES | O=[N+]([O-])C(CO)Cc1ccc(O)c(O)c1 |
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| InChI Key | RIEAXYWFMBVQIP-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesc-nitro compoundshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumprimary alcoholorganooxygen compoundamphetamine or derivativesorganic hyponitrite |
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