| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:03 UTC |
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| Update Date | 2025-03-25 00:55:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213068 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H25N3O6 |
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| Molecular Mass | 463.1743 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2NC(=O)C(C)=C2C=C)c(C(=O)O)c1CCCC(=O)O |
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| InChI Key | RYQMBMMLPWPEFP-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 | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsazacyclic compoundscarbonyl compoundsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolinessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundvinylogous amideazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundpyrrole-3-carboxylic acidorganooxygen compound |
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