| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:41 UTC |
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| Update Date | 2025-03-25 00:47:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159518 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13NO3 |
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| Molecular Mass | 219.0895 |
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| SMILES | O=CC(O)C(O)Cn1ccc2ccccc21 |
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| InChI Key | BJIMLTDRBVDVBV-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 | 1,2-diolsalpha-hydroxyaldehydesazacyclic compoundsbenzenoidsbeta-hydroxy aldehydesheteroaromatic compoundshydrocarbon derivativesindolesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssubstituted pyrroles |
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| Substituents | beta-hydroxy aldehydecarbonyl groupn-alkylindoleindolemonosaccharidesubstituted pyrrolesaccharideorganic oxidealpha-hydroxyaldehydearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholazacycleheteroaromatic compoundaldehydeorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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