| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:53 UTC |
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| Update Date | 2025-03-25 00:51:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189662 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H24N2O7 |
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| Molecular Mass | 452.1584 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(C(=O)O)n1CC(O)C(=O)O |
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| InChI Key | ZOGHCAXSALXQMW-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 benzenoidsalpha hydroxy acids and derivativesazacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesalpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidsubstituted pyrrolecarboxylic acid derivativearomatic anilideorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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