| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:22 UTC |
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| Update Date | 2025-03-25 00:46:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156627 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O10S |
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| Molecular Mass | 412.0464 |
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| SMILES | O=C1CC(Cc2ccc(O)c(OCOS(=O)(=O)O)c2)Oc2cc(O)cc(O)c21 |
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| InChI Key | HCLOWHXJLDBUCI-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersalkyl sulfatesaryl alkyl ketoneshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundalkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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