| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:51 UTC |
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| Update Date | 2025-03-25 00:56:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221831 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16ClNO4 |
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| Molecular Mass | 285.0768 |
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| SMILES | OCC(O)C(O)C(O)Cn1ccc2cc(Cl)ccc21 |
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| InChI Key | LTDUFOIWQXMZDG-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 | n-alkylindoles |
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| Direct Parent | n-alkylindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesindolesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssubstituted pyrroles |
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| Substituents | aryl chloridealcoholn-alkylindoleazacycleindoleorganochlorideheteroaromatic compoundsubstituted pyrroleorganohalogen compoundaryl halideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundprimary alcoholorganooxygen compound |
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