| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:17 UTC |
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| Update Date | 2025-03-25 00:48:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167683 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H25ClN2O4 |
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| Molecular Mass | 488.1503 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(Cl)cc2)n1CC(=O)O |
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| InChI Key | DXEXXHWPFWSMFC-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 amino acids and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxamidessecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesorganochloride1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativessubstituted pyrrolecarboxylic acid derivativeorganohalogen compoundaromatic anilideorganic oxideorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundorganoheterocyclic compoundaryl chloridechlorobenzenevinylogous amideazacycleheteroaromatic compoundcarboxamide grouparyl halidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolephenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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