| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:30 UTC |
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| Update Date | 2025-03-25 00:54:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204698 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6O4 |
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| Molecular Mass | 166.0266 |
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| SMILES | O=C1OC(O)Oc2ccccc21 |
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| InChI Key | WHKYRNRYALLITD-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-1,3-dioxanes |
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| Direct Parent | benzo-1,3-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzenoidscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorthocarboxylic acid derivativesoxacyclic compounds |
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| Substituents | carboxylic acid derivativebenzo-1,3-dioxanelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorthocarboxylic acid derivativeorganooxygen compound |
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