| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:35 UTC |
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| Update Date | 2025-03-25 00:47:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13NO4S |
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| Molecular Mass | 243.0565 |
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| SMILES | NCc1ccc(CSCCC(=O)C(=O)O)o1 |
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| InChI Key | JVIQHZUFEUHFIC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativescarboxylic acidsdialkylthioethersfatty acylsfuransheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssulfenyl compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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