| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:56 UTC |
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| Update Date | 2025-03-25 00:47:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160055 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO4 |
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| Molecular Mass | 183.0532 |
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| SMILES | O=[N+]([O-])OCCc1ccc(O)cc1 |
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| InChI Key | YNWGVFDJFWFSGW-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 | phenols |
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| Subclass | tyrosols and derivatives |
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| Direct Parent | tyrosols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl nitratesbenzene and substituted derivativeshydrocarbon derivativesnitrate estersorganic nitro compoundsorganic nitrogen compoundsorganic oxidesorganooxygen compounds |
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| Substituents | monocyclic benzene moietyorganic nitric acid or derivativesorganic nitratenitrate esterallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganic nitro compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl nitratehydrocarbon derivativetyrosol derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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