| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:07 UTC |
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| Update Date | 2025-03-25 00:49:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176500 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O3S |
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| Molecular Mass | 210.0351 |
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| SMILES | O=C(O)CCC1Oc2ccccc2S1 |
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| InChI Key | YWOVFZVYRVTJGL-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 | benzoxathioles |
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| Subclass | benzoxathioles |
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| Direct Parent | benzoxathioles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl thioethersbenzenoidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzoxathiolecarboxylic acid derivativearyl thioetheroxacycleorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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