| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:31 UTC |
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| Update Date | 2025-03-25 00:51:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186534 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13ClN2O |
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| Molecular Mass | 224.0716 |
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| SMILES | NCC(O)Cc1c[nH]c2ccc(Cl)cc12 |
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| InChI Key | ZCSJOLOVPIOVDZ-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 compoundspyrrolessecondary alcohols |
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| Substituents | aryl chloridealcoholazacycleindoleorganochlorideheteroaromatic compoundorganohalogen compoundaryl halideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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