| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:53 UTC |
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| Update Date | 2025-03-21 18:31:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00085850 |
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| Frequency | 33.3 |
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| Structure | |
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| Chemical Formula | C28H32N2O7 |
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| Molecular Mass | 508.221 |
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| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(C(=O)O)n1CCC(O)CC(O)CC(=O)O |
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| InChI Key | RMEUHHRMLNRRCT-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 | amino fatty acidsazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole 2-carboxylic acidspyrrole carboxamidessecondary alcoholssecondary carboxylic acid amidessubstituted pyrrolesvinylogous amides |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpyrrole-3-carboxylic acid or derivativesheterocyclic fatty acidfatty acidsubstituted pyrrolecarboxylic acid derivativemedium-chain hydroxy acidaromatic anilidebeta-hydroxy acidorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundpyrrole-3-carboxamideorganopnictogen compoundmedium-chain fatty acidhydroxy fatty acidorganoheterocyclic compoundalcoholvinylogous amideazacycleheteroaromatic compoundhydroxy acidcarboxamide groupamino fatty acidsecondary carboxylic acid amideorganic oxygen compoundpyrrolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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