| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:42 UTC |
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| Update Date | 2025-03-25 01:01:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H24N2O5S |
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| Molecular Mass | 380.1406 |
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| SMILES | CCC1=C(C)C(=O)NC1Cc1[nH]c(C(=O)O)c(CSCCC(=O)O)c1C |
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| InChI Key | VKXDSTKQDHQJAH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyrroles |
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| Subclass | pyrrole carboxylic acids and derivatives |
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| Direct Parent | pyrrole 2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrole carboxylic acids and derivativespyrrolinessecondary carboxylic acid amidessulfenyl compounds |
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| Substituents | carbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundcarboxylic acid derivativeorganic oxidepyrrole-2-carboxylic acidorganonitrogen compoundorganopnictogen compoundsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundpyrrolinethioetherdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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