| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:25 UTC |
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| Update Date | 2025-03-25 00:59:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234268 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO2 |
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| Molecular Mass | 179.0946 |
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| SMILES | Oc1cccc(C2(O)CCCN2)c1 |
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| InChI Key | MDSQAPFJTBFHEU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkanolaminesazacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietyaromatic heteromonocyclic compoundazacycle2-phenylpyrrolidine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidsecondary amineorganic oxygen compoundpyrroleorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminealkanolamine |
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