| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:52 UTC |
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| Update Date | 2025-03-25 00:51:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189633 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O3 |
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| Molecular Mass | 300.1474 |
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| SMILES | CC(C)NCC(O)COc1ccc2cccc3c2c1C(=O)N3 |
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| InChI Key | YKMXNEDHZXNNMH-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 | isoindoles and derivatives |
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| Subclass | isoindolines |
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| Direct Parent | isoindolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesindolesisoindoleslactamsnaphthalenesorganic oxidesorganopnictogen compoundsphenol etherssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | phenol etheretherlactamamino acid or derivativesindolealkyl aryl ethercarboxylic acid derivativeisoindoloneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic amineazacycleisoindoleindole or derivativessecondary aminecarboxamide groupsecondary carboxylic acid amidenaphthaleneorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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