| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:03 UTC |
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| Update Date | 2025-03-25 01:01:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251811 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8N2O2S |
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| Molecular Mass | 232.0306 |
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| SMILES | O=c1[nH]c2c(c(=O)[nH]1)CSc1ccccc1-2 |
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| InChI Key | XSSAXVOZDJUMLM-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 | alkylarylthioethersazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundpyrimidonealkylarylthioetheraryl thioetherpyrimidine1-benzothiopyranorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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