| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:12 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238280 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O4S |
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| Molecular Mass | 254.0613 |
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| SMILES | O=C(O)CCC1SCCc2cc(O)c(O)cc21 |
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| InChI Key | JJFFRGOFWOQAPN-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 | 1-hydroxy-2-unsubstituted benzenoids2-benzothiopyransbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesthia fatty acids |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidbenzothiopyrandialkylthioether1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundaromatic heteropolycyclic compoundthioetherhydrocarbon derivativehydroxy fatty acidbenzenoidisothiochromane2-benzothiopyranorganooxygen compound |
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