| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:54 UTC |
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| Update Date | 2025-03-25 00:47:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162209 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO4 |
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| Molecular Mass | 249.1001 |
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| SMILES | O=C(O)CC1CC(Cc2cccc(O)c2)C(O)=N1 |
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| InChI Key | FXMWVXIRICOABE-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 | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolines |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacycle1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativespyrrolineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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