| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:04 UTC |
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| Update Date | 2025-03-25 00:59:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237977 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10O3S |
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| Molecular Mass | 222.0351 |
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| SMILES | O=C(O)CC1SCC(=O)c2ccccc21 |
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| InChI Key | DFELBJKQWWQQJZ-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 | isothiochromanes |
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| Subclass | isothiochromanes |
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| Direct Parent | isothiochromanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-benzothiopyransaryl alkyl ketonesbenzenoidscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonebenzothiopyrandialkylthioethercarboxylic acid derivativeketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundthioetherhydrocarbon derivativebenzenoidisothiochromane2-benzothiopyranorganooxygen compoundaryl ketone |
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