| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:48 UTC |
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| Update Date | 2025-03-25 00:53:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198469 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H6O3S |
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| Molecular Mass | 206.0038 |
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| SMILES | O=C(O)C(=O)c1csc2ccccc12 |
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| InChI Key | YMVVXGMLFWYWLD-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 | alpha-keto acids and derivativesaryl ketonesbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiophenes |
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| Substituents | carbonyl groupcarboxylic acidheteroaromatic compoundthiophenecarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiopheneketo acidalpha-keto acidhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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