| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:37 UTC |
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| Update Date | 2025-03-21 18:36:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111838 |
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| Frequency | 23.8 |
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| Structure | |
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| Chemical Formula | C17H14O4S |
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| Molecular Mass | 314.0613 |
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| SMILES | CC(=O)OC1C(=O)c2ccccc2SC1c1ccc(O)cc1 |
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| InChI Key | RDCROWXIHRQRIB-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 | thiochromanes |
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| Subclass | thioflavans |
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| Direct Parent | thioflavans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiopyrans1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersalpha-acyloxy ketonesaryl alkyl ketonesbenzene and substituted derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthiopyransvinylogous thioesters |
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| Substituents | monocyclic benzene moietycarbonyl grouparyl alkyl ketonealpha-acyloxy ketone1-hydroxy-2-unsubstituted benzenoidalkylarylthioethercarboxylic acid derivativearyl thioether1-benzothiopyranketoneorganic oxidearomatic heteropolycyclic compoundvinylogous thioesterbenzothiopyranthiopyranmonocarboxylic acid or derivativesthioflavanorganic oxygen compoundthioethercarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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