| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202424 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O2S |
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| Molecular Mass | 180.0245 |
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| SMILES | CSc1cccc2c1C(=O)CO2 |
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| InChI Key | IZHNSDUNEDALDG-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 | benzofurans |
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| Subclass | benzofuranones |
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| Direct Parent | benzofuranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkylarylthioethersaryl alkyl ketonescoumaranshydrocarbon derivativesorganic oxidesoxacyclic compoundssulfenyl compoundsthiophenol ethersthiophenolsvinylogous thioesters |
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| Substituents | etheraryl alkyl ketonebenzofuranonealkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherketoneorganic oxidethiophenolaromatic heteropolycyclic compoundthiophenol ethercoumaranvinylogous thioestersulfenyl compoundoxacycleorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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