| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:09 UTC |
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| Update Date | 2025-03-21 18:39:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127404 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C15H20O5 |
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| Molecular Mass | 280.1311 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)OCC(C)(CCC(=O)O)O2 |
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| InChI Key | XDQIILOURMPVTK-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 ethersbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxins |
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| Substituents | benzo-1,4-dioxanecarbonyl groupethercarboxylic acidalkyl aryl ethercarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compound |
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