| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:16 UTC |
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| Update Date | 2025-03-25 00:55:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213551 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14ClNO2 |
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| Molecular Mass | 227.0713 |
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| SMILES | CNCC1(c2ccc(Cl)cc2)OCCO1 |
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| InChI Key | JJOFQQVKHCKZRR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,3-dioxolanesaryl chloridesdialkylamineshydrocarbon derivativesketalsorganochloridesorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | aryl chloridechlorobenzenesecondary aliphatic aminemeta-dioxolanearomatic heteromonocyclic compoundorganochloridesecondary amineorganohalogen compoundaryl halideoxacycleorganic oxygen compoundacetalketalorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundamine |
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