| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:11 UTC |
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| Update Date | 2025-03-21 18:35:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105868 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C11H17NO3 |
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| Molecular Mass | 211.1208 |
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| SMILES | CNCC(O)C(O)Cc1ccc(O)cc1 |
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| InChI Key | XNANDXBHRZGEHP-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsdialkylamineshydrocarbon derivativesorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholsecondary aliphatic amine1-hydroxy-2-unsubstituted benzenoidsecondary aminearomatic homomonocyclic compoundphenylbutylamineorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine1,2-diol |
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