| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:10 UTC |
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| Update Date | 2025-03-25 00:46:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158366 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H25NO7 |
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| Molecular Mass | 343.1631 |
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| SMILES | OCC1OC(O)(CNCCC(O)Cc2cccc(O)c2)C(O)C1O |
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| InChI Key | QTVJODYZIDUFMV-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsdialkylamineshemiacetalshydrocarbon derivativesmonosaccharidesorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidesaccharidephenylbutylamineorganonitrogen compoundorganopnictogen compoundhemiacetalprimary alcoholorganoheterocyclic compoundalcoholsecondary aliphatic aminetetrahydrofuran1-hydroxy-4-unsubstituted benzenoidsecondary amineoxacycleorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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