| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:04 UTC |
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| Update Date | 2025-03-25 00:58:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02231154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17NO4S2 |
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| Molecular Mass | 291.0599 |
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| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)s1 |
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| InChI Key | RZCNHSZSDGKBRE-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 | thiophenes |
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| Subclass | thiophene carboxylic acids and derivatives |
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| Direct Parent | thiophene carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2,5-disubstituted thiophenesaminosulfonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsorganosulfonamides |
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| Substituents | 2,5-disubstituted thiopheneorganosulfonic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundaminosulfonyl compoundthiophene carboxylic acidheteroaromatic compoundorganosulfur compoundcarboxylic acid derivativeorganosulfonic acid amideorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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