| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:16:46 UTC |
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| Update Date | 2025-03-25 00:38:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02101736 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C8H11NO |
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| Molecular Mass | 137.0841 |
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| SMILES | CN1C2C=CC3OC(C2)C31 |
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| InChI Key | KTACPALJMHLCET-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 | oxazepines |
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| Subclass | 1,4-oxazepines |
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| Direct Parent | 1,4-oxazepines |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsdialkyl ethershydrocarbon derivativesn-alkylpyrrolidinesorganopnictogen compoundsoxacyclic compoundsoxetanestrialkylamines |
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| Substituents | etherazacyclen-alkylpyrrolidinetertiary aliphatic aminedialkyl etherpara-oxazepinealiphatic heteropolycyclic compoundoxacycleorganic oxygen compoundoxetaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpyrrolidineaminetertiary amineorganooxygen compound |
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