| 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 00:55:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213064 |
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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=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2NC(=O)C(C)=C2C=C)c(CCC(=O)C(=O)O)c1C |
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| InChI Key | WFLPKBCEXNNZPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | keto acids and derivatives |
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| Subclass | alpha-keto acids and derivatives |
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| Direct Parent | alpha-keto acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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