| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:26 UTC |
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| Update Date | 2025-03-25 00:55:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C34H40N4O11 |
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| Molecular Mass | 680.2694 |
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| SMILES | C=CC1=C(C)C(=CC2=NC(=Cc3c(CCC(=O)O)c(CCC(=O)O)c(C(=O)O)n3CCCCC(N)C(=O)O)C(CCC(=O)O)=C2C)NC1=O |
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| InChI Key | VFDQUEKOHOWXCV-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 | pentacarboxylic acids and derivatives |
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| Direct Parent | pentacarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesketimineslactamsmonoalkylaminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrrole 2-carboxylic acidspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amidessubstituted pyrroles |
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| Substituents | ketiminecarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundiminealpha-amino acid or derivativessubstituted pyrrolepropargyl-type 1,3-dipolar organic compoundorganic oxidepyrrole-2-carboxylic acidpyrrole-2-carboxylic acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide grouppentacarboxylic acid or derivativessecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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