| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:01 UTC |
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| Update Date | 2025-03-21 18:04:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052810 |
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| Frequency | 61.5 |
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| Structure | |
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| Chemical Formula | C9H13NO3 |
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| Molecular Mass | 183.0895 |
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| SMILES | CNCCc1cc(O)c(O)c(O)c1 |
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| InChI Key | XBQVPOIMYUOPSA-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 | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietypyrogallol derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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