| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:09 UTC |
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| Update Date | 2025-03-25 00:59:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238175 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11NO3S |
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| Molecular Mass | 237.046 |
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| SMILES | O=C(O)CCSCc1nc2ccccc2o1 |
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| InChI Key | LPWSDEWJKXJPCT-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 | benzoxazoles |
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| Subclass | benzoxazoles |
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| Direct Parent | benzoxazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazolessulfenyl compounds |
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| Substituents | carbonyl groupcarboxylic acidoxazoleorganosulfur compoundcarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazolesulfenyl compoundazacycledialkylthioetherbenzoxazoleheteroaromatic compoundoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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