| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:55:47 UTC |
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| Update Date | 2025-03-21 18:04:42 UTC |
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| HMDB ID | HMDB0249004 |
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| Metabolite Identification |
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| DeepMet ID | DMID00052295 |
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| Name | Benzo[b]thiophene-2-carboxylic acid |
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| Frequency | 62.2 |
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| Structure | |
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| Chemical Formula | C9H6O2S |
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| Molecular Mass | 178.0088 |
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| SMILES | O=C(O)c1cc2ccccc2s1 |
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| InChI Key | DYSJMQABFPKAQM-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 | 2,3,5-trisubstituted thiophenesbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsthiophene carboxylic acids |
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| Substituents | 2,3,5-trisubstituted thiophenecarboxylic acidthiophene carboxylic acidheteroaromatic compoundthiophenecarboxylic acid derivativethiophene carboxylic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiophenehydrocarbon derivativebenzenoidorganooxygen compound |
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