| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:40 UTC |
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| Update Date | 2025-03-21 18:34:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00099665 |
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| Frequency | 27.5 |
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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)c1c(O)cc(O)cc1O |
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| InChI Key | HJOOZUGJTMLMFN-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 | phloroglucinols 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 benzenoidsaromatic alcoholsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic aminemonocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary aminephloroglucinol derivativearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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