| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:30 UTC |
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| Update Date | 2025-03-25 00:49:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177394 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H13NO4 |
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| Molecular Mass | 199.0845 |
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| SMILES | CNCC(O)(O)c1ccc(O)cc1O |
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| InChI Key | ZTVOQIARBBFDAZ-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 | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholsecondary aliphatic aminemonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary amineresorcinolaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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