| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:22 UTC |
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| Update Date | 2025-03-25 00:53:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202096 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8O5 |
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| Molecular Mass | 196.0372 |
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| SMILES | COc1cccc2c1OC(=O)C(O)O2 |
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| InChI Key | IASXWCFZMSGUEF-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 | alkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxins |
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| Substituents | benzo-1,4-dioxanephenol ethercarbonyl groupetheralkyl aryl ethercarboxylic acid derivativelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundanisolecarboxylic acid esterhemiacetalhydrocarbon derivativebenzenoidorganooxygen compound |
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