| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:38 UTC |
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| Update Date | 2025-03-21 18:33:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097149 |
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| Frequency | 28.4 |
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| Structure | |
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| Chemical Formula | C14H10O7 |
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| Molecular Mass | 290.0427 |
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| SMILES | O=C1Oc2c(O)cc(O)cc2OC1c1ccc(O)c(O)c1 |
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| InChI Key | JFXNMOGPOHXZCO-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 | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzo-1,4-dioxanes |
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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 ethersbenzene and substituted derivativesbenzo-1,4-dioxanescarbonyl compoundscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxins |
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| Substituents | monocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativelactoneorganic oxidearomatic heteropolycyclic compound2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxane1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxincarboxylic acid esterphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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