| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:40:00 UTC |
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| Update Date | 2025-03-21 21:54:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00438247 |
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| Frequency | 4.1 |
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| Structure | |
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| Chemical Formula | C3H6ClNO2 |
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| Molecular Mass | 123.0087 |
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| SMILES | O=[N+]([O-])CCCCl |
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| InChI Key | ZMEJRPKJAMJHCX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic 1,3-dipolar compounds |
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| Class | allyl-type 1,3-dipolar organic compounds |
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| Subclass | organic nitro compounds |
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| Direct Parent | c-nitro compounds |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkyl chlorideshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganochloridesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundalkyl chlorideorganochlorideorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundalkyl halidehydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
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