| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:57 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180684 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO5 |
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| Molecular Mass | 293.1263 |
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| SMILES | Cc1c(CC(=O)O)c2ccccc2n1CC(O)C(O)CO |
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| InChI Key | QUWYCMSCQGLWEM-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 | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholssecondary alcoholssubstituted pyrroles |
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| Substituents | carbonyl groupn-alkylindolecarboxylic acidindolesubstituted pyrrolecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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