| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:12 UTC |
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| Update Date | 2025-03-25 00:56:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220354 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NOS |
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| Molecular Mass | 205.0561 |
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| SMILES | CSCc1c[nH]c(=O)c2ccccc12 |
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| InChI Key | YMZSLKPKCNYEMU-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 | isoquinolines and derivatives |
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| Subclass | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonessulfenyl compounds |
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| Substituents | lactamsulfenyl compoundazacyclepolyhalopyridinedialkylthioetherheteroaromatic compoundmethylpyridineorganosulfur compoundorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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