| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:04 UTC |
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| Update Date | 2025-03-25 00:57:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02222352 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H8O3S |
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| Molecular Mass | 244.0194 |
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| SMILES | O=C1c2ccccc2-c2ccccc2S1(=O)=O |
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| InChI Key | NSDAJQRTIOMJOH-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 | benzothiopyrans |
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| Subclass | 1-benzothiopyrans |
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| Direct Parent | 1-benzothiopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzothiopyransbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfonesthiolactones |
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| Substituents | carboxylic acid derivative1-benzothiopyranorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidthiolactone2-benzothiopyranorganooxygen compoundsulfone |
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