| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:31 UTC |
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| Update Date | 2025-03-25 00:58:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H35N3O9 |
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| Molecular Mass | 581.2373 |
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| SMILES | CCC1=C(C)C(CC2=NC(=Cc3[nH]c(C=CC(=O)O)c(CCC(=O)O)c3CCC(=O)O)C(CCC(=O)O)=C2C)NC1=O |
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| InChI Key | IVWQCKUSWGRRIA-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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