| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:20 UTC |
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| Update Date | 2025-03-21 18:28:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00070135 |
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| Frequency | 42.9 |
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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)c1csc2ccccc12 |
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| InChI Key | DRBLTQNCQJXSNU-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 | 1-carboxy-2-haloaromatic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsthiophene carboxylic acids |
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| Substituents | carboxylic acidthiophene carboxylic acidheteroaromatic compoundthiophenecarboxylic acid derivativethiophene carboxylic acid or derivativesorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiophenehydrocarbon derivativebenzenoid1-carboxy-2-haloaromatic compoundorganooxygen compound |
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