| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:53 UTC |
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| Update Date | 2025-03-25 01:02:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253653 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H26O8S |
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| Molecular Mass | 390.1348 |
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| SMILES | O=C(CCCCCCCCCc1cc(O)cc(O)c1)OCOS(=O)(=O)O |
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| InChI Key | NJVIVRYWMORCIB-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 | phenols |
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| Subclass | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativeresorcinolaromatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl sulfatesulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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