| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:34 UTC |
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| Update Date | 2025-03-21 18:38:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00121328 |
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| Frequency | 21.4 |
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| Structure | |
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| Chemical Formula | C12H19NO3 |
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| Molecular Mass | 225.1365 |
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| SMILES | CN(C)CCCC(O)c1ccc(O)c(O)c1 |
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| InChI Key | KECKEGUKNFPJGE-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativesorganopnictogen compoundssecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholalcoholtertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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