| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:00 UTC |
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| Update Date | 2025-03-25 00:47:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160208 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20N2O5 |
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| Molecular Mass | 284.1372 |
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| SMILES | Nc1ccccc1NCC1OC(CO)C(O)C(O)C1O |
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| InChI Key | QNBOXPMCHGBTOB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativesdialkyl ethershydrocarbon derivativesmonosaccharidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary alcoholsprimary aminessecondary alcoholssecondary alkylarylamines |
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| Substituents | monocyclic benzene moietyetheraromatic heteromonocyclic compoundmonosaccharidedialkyl ethersaccharideorganopnictogen compoundoxaneprimary alcoholorganoheterocyclic compoundalcoholsecondary aminesecondary aliphatic/aromatic amineoxacycleorganic oxygen compoundsecondary alcoholphenylalkylaminehydrocarbon derivativebenzenoidprimary amineorganooxygen compound |
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