| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:28 UTC |
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| Update Date | 2025-03-25 00:47:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159026 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O4 |
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| Molecular Mass | 264.111 |
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| SMILES | OCCC1N=C(O)C(Cc2cccc(O)c2)N=C1O |
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| InChI Key | ZEHSLIFEMLMMRF-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 benzenoidsalcohols and polyolsazacyclic compoundsbenzene and substituted derivativescyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacycle1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compound1-hydroxy-4-unsubstituted benzenoidpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound |
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