| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:56 UTC |
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| Update Date | 2025-03-25 00:48:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169163 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O2S |
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| Molecular Mass | 234.0715 |
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| SMILES | CCCc1sc2ccccc2c1CC(=O)O |
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| InChI Key | XFHXNFSIUQLDNO-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 | benzothiophenes |
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| Subclass | 1-benzothiophenes |
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| Direct Parent | 1-benzothiophenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acidheteroaromatic compoundthiophenecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiophenehydrocarbon derivativebenzenoidorganooxygen compound |
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