| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:58 UTC |
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| Update Date | 2025-03-25 00:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240018 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15Cl2NO |
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| Molecular Mass | 259.0531 |
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| SMILES | NCCCC1(O)CCc2cc(Cl)c(Cl)cc21 |
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| InChI Key | XBBDGRNEYDVDGA-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 | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | aryl chlorideshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | aryl chloridealcoholorganochloridearomatic homopolycyclic compoundorganohalogen compoundaryl halidetertiary alcoholorganic oxygen compoundindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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