| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:00 UTC |
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| Update Date | 2025-03-25 00:46:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155843 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C26H33N3O4S |
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| Molecular Mass | 483.2192 |
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| SMILES | CSCc1c2[nH]c(c1C)Cc1[nH]c(c(C)c1CCC(=O)O)Cc1[nH]c(c(C)c1CCC(=O)O)C2 |
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| InChI Key | ODWXVJQDCBPZED-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidsulfenyl compoundazacycledialkylthioetherheteroaromatic compoundorganosulfur compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundthioetherpyrroleorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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