| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:46 UTC |
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| Update Date | 2025-03-25 00:47:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164159 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H35N3O9 |
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| Molecular Mass | 569.2373 |
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| SMILES | CC1=C(CCC(=O)O)C(=Cc2[nH]c(CCC(=O)O)c(C)c2CCC(=O)O)N=C1CC1NC(=O)C(CCC(=O)O)=C1C |
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| InChI Key | XYNHTUVJKLFRLQ-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 | tetracarboxylic acids and derivatives |
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| Direct Parent | tetracarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdipyrrinsheteroaromatic compoundshydrocarbon derivativesketimineslactamsorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrolespyrrolinessecondary carboxylic acid amides |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundiminepropargyl-type 1,3-dipolar organic compounddipyrrinorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundtetracarboxylic acid or derivativesorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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