| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:51 UTC |
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| Update Date | 2025-03-25 00:55:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02210165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO4 |
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| Molecular Mass | 251.1158 |
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| SMILES | CC(O)C(O)C1N=C(O)C(Cc2ccccc2)O1 |
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| InChI Key | OIJZVLTYRSWJSZ-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundscyclic carboximidic acidshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolinespropargyl-type 1,3-dipolar organic compoundssecondary alcohols |
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| Substituents | alcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacycleorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundoxacycleoxazolineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compoundorganooxygen compound1,2-diol |
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