| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:15 UTC |
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| Update Date | 2025-03-25 00:51:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188214 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H17NO8S |
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| Molecular Mass | 395.0675 |
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| SMILES | CC(=O)NC1Cc2c(O)cc(OS(=O)(=O)O)cc2OC1c1ccc(O)cc1 |
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| InChI Key | NCIGNVTUQALRRP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | flavonoids |
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| Subclass | hydroxyflavonoids |
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| Direct Parent | 5-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoidsacetamidesalkyl aryl ethersarylsulfatesbenzene and substituted derivativescarbonyl compoundscarboxylic acids and derivativesflavanshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromanearylsulfateorganoheterocyclic compoundacetamidebenzopyranorganic sulfuric acid or derivatives5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidcarboxamide groupoxacyclesecondary carboxylic acid amideorganic oxygen compound4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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