| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:23 UTC |
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| Update Date | 2025-03-25 00:50:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12O5 |
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| Molecular Mass | 224.0685 |
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| SMILES | O=C(O)C(O)Cc1ccc2c(c1)OCCO2 |
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| InChI Key | RLUUZIMAQUQBGB-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 ethersalpha hydroxy acids and derivativesbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxinssecondary alcohols |
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| Substituents | alcoholbenzo-1,4-dioxanecarbonyl groupethercarboxylic acidalpha-hydroxy acidhydroxy acidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoidorganooxygen compound |
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