| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:21 UTC |
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| Update Date | 2025-03-21 18:38:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118489 |
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| Frequency | 22.1 |
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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 | Oc1ccccc1CNC1C=CC(O)C(O)C1O |
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| InChI Key | IXUCFEUMPUFAGK-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 homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativescyclitols and derivativesdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholsecondary aliphatic aminemonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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