| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:03 UTC |
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| Update Date | 2025-03-25 00:57:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02226722 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO4 |
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| Molecular Mass | 237.1001 |
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| SMILES | CC(O)C(O)C1=NCc2cc(O)c(O)cc2C1 |
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| InChI Key | KMQYVJXWELBHEV-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 heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsbenzenoidshydrocarbon derivativesketiminesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholketimineazacycleimine1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound1,2-diol |
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