| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:07 UTC |
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| Update Date | 2025-03-25 01:00:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO5 |
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| Molecular Mass | 315.1107 |
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| SMILES | CC(=O)N1CCc2cc(O)c(O)cc2C1c1ccc(O)c(O)c1 |
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| InChI Key | NKQHJFZEXJBVRD-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 | tetrahydroisoquinolines |
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| Subclass | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetamidesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupazacycle1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupcarboxylic acid derivative1-phenyltetrahydroisoquinolineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundacetamideorganooxygen compound |
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