| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:11 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213382 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15N3O |
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| Molecular Mass | 217.1215 |
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| SMILES | CN(C)CC1CNc2cc(C#N)ccc2O1 |
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| InChI Key | KSDAGMBLDJXHLA-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 | benzoxazines |
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| Subclass | benzoxazines |
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| Direct Parent | benzoxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsbenzenoidsbenzomorpholineshydrocarbon derivativesnitrilesorganopnictogen compoundsoxacyclic compoundssecondary alkylarylaminestrialkylamines |
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| Substituents | ethernitrilealkyl aryl etherbenzomorpholinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amineazacycletertiary aliphatic aminebenzoxazinesecondary amineoxazinanesecondary aliphatic/aromatic amineoxacyclemorpholineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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