| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:00 UTC |
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| Update Date | 2025-03-25 00:55:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02212957 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C28H32N2O7S |
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| Molecular Mass | 540.193 |
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| SMILES | C=CC1=C(C)C(=O)NC1=Cc1[nH]c(C=C2C(CCC(=O)O)=C(C)SC2CCC(=O)O)c(CCC(=O)O)c1C |
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| InChI Key | UANZVYNRDBOXRF-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 | tricarboxylic acids and derivatives |
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| Direct Parent | tricarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdihydrothiophenesfatty acylsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolespyrrolinessecondary carboxylic acid amidesthia fatty acidsthioenol ethers |
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| Substituents | fatty acylcarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundtricarboxylic acid or derivativesorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycle2,3-dihydrothiopheneheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amidethia fatty acidthioenoletherorganic oxygen compoundpyrrolinepyrrolehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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