| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:53 UTC |
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| Update Date | 2025-03-21 18:07:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069058 |
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| Frequency | 43.8 |
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| Structure | |
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| Chemical Formula | C18H16O4S |
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| Molecular Mass | 328.0769 |
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| SMILES | COc1ccc(C2Sc3ccccc3C(=O)C2OC(C)=O)cc1 |
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| InChI Key | JOYXLQWFCJMBNJ-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-benzothiopyransalkyl aryl ethersalkylarylthioethersalpha-acyloxy ketonesanisolesaryl alkyl ketonescarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsthiopyransvinylogous thioesters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraryl alkyl ketonealpha-acyloxy ketonealkyl aryl etheralkylarylthioethercarboxylic acid derivativearyl thioether1-benzothiopyranketoneorganic oxidearomatic heteropolycyclic compoundvinylogous thioesterbenzothiopyranthiopyranmethoxybenzenemonocarboxylic acid or derivativesthioflavanorganic oxygen compoundthioetheranisolecarboxylic acid esterhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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