| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:42 UTC |
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| Update Date | 2025-03-21 18:04:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00049822 |
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| Frequency | 66.1 |
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| Structure | |
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| Chemical Formula | C10H11ClN2 |
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| Molecular Mass | 194.0611 |
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| SMILES | NCCc1c[nH]c2cc(Cl)ccc12 |
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| InChI Key | LFASSSGQIDKFOU-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | aryl chlorideazacycleindoleorganochlorideheteroaromatic compoundorganohalogen compoundaryl halidearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compound |
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