| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:32 UTC |
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| Update Date | 2025-03-25 00:52:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02191073 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C30H31N5O6 |
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| Molecular Mass | 557.2274 |
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| SMILES | C=CC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)=C4CCC(=O)O)c(CCC(=O)O)c3C)N=C2C)NC1=O |
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| InChI Key | XWVJXYMIEOMCQE-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 compoundscarbonyl compoundscarboxylic acidsheteroaromatic 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 compoundorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundorganic 1,3-dipolar compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinepyrroledicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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