| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:05 UTC |
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| Update Date | 2025-03-21 18:35:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105641 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C10H12ClNO |
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| Molecular Mass | 197.0607 |
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| SMILES | OC1(c2ccc(Cl)cc2)CCNC1 |
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| InChI Key | CAVQGCMJFBZRLQ-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 | pyrrolidines |
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| Subclass | phenylpyrrolidines |
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| Direct Parent | phenylpyrrolidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundschlorobenzenesdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compoundspyrrolestertiary alcohols |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundorganochlorideorganohalogen compoundorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcoholsecondary aliphatic amineazacyclesecondary aminearyl halide3-phenylpyrrolidinetertiary alcoholorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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