| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:21 UTC |
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| Update Date | 2025-03-25 00:57:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227400 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H25N3O5 |
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| Molecular Mass | 447.1794 |
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| SMILES | C=CCn1c(C=C2N=C(C=C3NC(=O)C(C=C)=C3C)C(C)=C2CCC(=O)O)ccc1C(=O)O |
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| InChI Key | XTZIZKRTNQDKDN-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 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundiminesubstituted pyrrolecarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinedicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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