| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:44 UTC |
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| Update Date | 2025-03-25 00:50:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02182483 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O5S |
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| Molecular Mass | 242.0249 |
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| SMILES | O=Cc1ccc(CSCCC(=O)C(=O)O)o1 |
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| InChI Key | HZFWHAWOCYGWKE-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 derivativesaryl-aldehydescarboxylic acidsdialkylthioethersfatty acylsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfenyl compounds |
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| Substituents | furancarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidearyl-aldehydealpha-keto acidorganoheterocyclic compoundsulfenyl compounddialkylthioetherheteroaromatic compoundaldehydeoxacyclemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidhydrocarbon derivativeorganooxygen compound |
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