| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:55 UTC |
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| Update Date | 2025-03-25 00:50:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178349 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9ClN2O |
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| Molecular Mass | 208.0403 |
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| SMILES | Clc1ccc(NCc2cnco2)cc1 |
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| InChI Key | HUOCMEMIRSPFSO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | amines |
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| Direct Parent | phenylalkylamines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganochloridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolessecondary alkylarylamines |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideoxazoleorganohalogen compoundorganopnictogen compoundorganoheterocyclic compoundazolearyl chloridechlorobenzeneazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminearyl halideoxacycleorganic oxygen compoundphenylalkylaminehydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
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