| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:27 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252701 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO6S |
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| Molecular Mass | 341.0933 |
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| SMILES | NC(CSC1CC(=O)C(O)CC1c1ccc(O)c(O)c1)C(=O)O |
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| InChI Key | BCVJQHICNDCZJI-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 | cyclohexylphenols |
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| Direct Parent | cyclohexylphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidscarboxylic acidscyclic alcohols and derivativescyclic ketonescysteine and derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssulfenyl compounds |
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| Substituents | cyclohexylphenolcarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescyclic ketoneorganosulfur compoundcarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundalcoholsulfenyl compounddialkylthioether1-hydroxy-4-unsubstituted benzenoidcyclic alcoholaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundthioethercysteine or derivativessecondary alcoholphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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