| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:51 UTC |
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| Update Date | 2025-03-21 18:29:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076189 |
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| Frequency | 38.7 |
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| Structure | |
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| Chemical Formula | C9H8ClNO |
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| Molecular Mass | 181.0294 |
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| SMILES | OCc1c[nH]c2ccc(Cl)cc12 |
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| InChI Key | DUSHSPLKAUXPEY-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 | indole-3-carbinol and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | aromatic alcoholaryl chloridealcoholazacycleorganochlorideheteroaromatic compoundorganohalogen compoundaryl halideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidindole-3-carbinol or derivativesorganic nitrogen compoundorganooxygen compound |
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