| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:11 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183476 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O7S |
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| Molecular Mass | 316.0617 |
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| SMILES | O=C(O)c1ccc(SC2OC(CO)C(O)C(O)C2O)cc1 |
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| InChI Key | MGGPMFCCUYQHIF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl thioethersbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssulfenyl compounds |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundbenzoylmonosaccharideorganosulfur compoundcarboxylic acid derivativearyl thioethersaccharideorganic oxidebenzoic acidoxaneprimary alcoholorganoheterocyclic compoundalcoholsulfenyl compoundp-sulfanylbenzoic acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compound |
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