| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:15 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163005 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O6 |
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| Molecular Mass | 344.126 |
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| SMILES | O=C(CCC(O)Cc1cccc(O)c1)OC1COc2ccccc2O1 |
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| InChI Key | NJELYSXBVNWRBQ-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 | benzo-1,4-dioxanes |
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| Direct Parent | benzo-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 benzenoidsacetalsalkyl aryl ethersbenzene and substituted derivativescarbonyl compoundscarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxinssecondary alcohols |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxideacetalaromatic heteropolycyclic compoundalcoholbenzo-1,4-dioxane1-hydroxy-4-unsubstituted benzenoidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxincarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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