| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:53 UTC |
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| Update Date | 2025-03-25 00:59:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239812 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6ClNO2 |
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| Molecular Mass | 183.0087 |
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| SMILES | O=C1Nc2ccc(Cl)cc2CO1 |
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| InChI Key | QTWPCRPGYSNPDQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organohalogen compounds |
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| Class | aryl halides |
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| Subclass | aryl chlorides |
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| Direct Parent | aryl chlorides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl chloridecarbonyl groupcarbonic acid derivativeazacycleorganochloridecarbamic acid esteroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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