| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 04:11:39 UTC |
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| Update Date | 2025-03-21 23:10:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00654731 |
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| Frequency | 2.4 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | CC(=O)C1=[N+]([O-])CCC1 |
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| InChI Key | XSHLHRFADQYQLP-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 | pyrrolines |
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| Subclass | pyrrolines |
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| Direct Parent | pyrrolines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundshydrocarbon derivativesketonesnitronesorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycleallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundketoneorganic oxidepyrrolineorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitritenitrone |
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