| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:24 UTC |
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| Update Date | 2025-03-25 00:49:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172483 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H30N4O5 |
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| Molecular Mass | 454.2216 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(C=C2N=NC(C)=C2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | LYVCIADFHHAUHI-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 | carboxylic acids and derivatives |
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| Subclass | dicarboxylic acids and derivatives |
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| Direct Parent | dicarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsazo compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupazo compoundpropargyl-type 1,3-dipolar organic compoundsecondary carboxylic acid amideorganic oxideorganic oxygen compoundpyrrolinepyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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