| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:18 UTC |
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| Update Date | 2025-03-25 00:59:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238522 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10O3S |
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| Molecular Mass | 210.0351 |
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| SMILES | O=C(O)C1(O)CCSc2ccccc21 |
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| InChI Key | WGDOZUDBGGWYGS-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 | thiochromanes |
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| Direct Parent | thiochromanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiopyransalkylarylthioethersalpha hydroxy acids and derivativesbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidestertiary alcoholsthiopyrans |
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| Substituents | thiochromanealcoholcarbonyl groupcarboxylic acidbenzothiopyranalpha-hydroxy acidhydroxy acidalkylarylthioetherthiopyrancarboxylic acid derivativearyl thioether1-benzothiopyrantertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundthioetherhydrocarbon derivativebenzenoidorganooxygen compound |
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