| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:05 UTC |
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| Update Date | 2025-03-25 00:50:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181008 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O4S |
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| Molecular Mass | 252.0456 |
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| SMILES | O=C(O)CCC1=Cc2ccccc2S(=O)(=O)C1 |
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| InChI Key | ZRHZFYLROIBJCC-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 | thiochromenes |
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| Subclass | thiochromenes |
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| Direct Parent | thiochromenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiopyransbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfonesthiopyrans |
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| Substituents | carbonyl groupcarboxylic acidbenzothiopyran2h-thiochromenethiopyrancarboxylic acid derivative1-benzothiopyranorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundsulfone |
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