| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:54 UTC |
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| Update Date | 2025-03-25 01:00:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H28N2O6 |
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| Molecular Mass | 452.1947 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)cc(-c2ccc(O)cc2)n1CCC(O)CC(=O)O |
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| InChI Key | NLLZUWKRHWNGGR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | anilides |
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| Direct Parent | aromatic anilides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivatives1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativearomatic anilidebeta-hydroxy acidorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesecondary alcoholphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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