| 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 00:50:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178355 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8ClNO |
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| Molecular Mass | 229.0294 |
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| SMILES | Clc1ccc(-c2nc3ccccc3o2)cc1 |
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| InChI Key | NTMAGNRMERGORC-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 | benzoxazoles |
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| Subclass | benzoxazoles |
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| Direct Parent | benzoxazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzenesheteroaromatic compoundshydrocarbon derivativesorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietyazacycleorganochloridebenzoxazoleheteroaromatic compoundoxazoleorganohalogen compoundaryl halideoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundazole |
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