| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:35 UTC |
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| Update Date | 2025-03-25 00:59:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234652 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O5 |
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| Molecular Mass | 294.1467 |
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| SMILES | Cc1c(C)c2c(c(C)c1O)OC(C)(CCCC(=O)O)CO2 |
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| InChI Key | JMBDEOBEIUVJCI-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 acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundspara dioxins |
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| Substituents | fatty acylbenzo-1,4-dioxanecarbonyl groupethercarboxylic acidheterocyclic fatty acidfatty acidalkyl aryl ethercarboxylic acid derivativemedium-chain hydroxy acidoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinaromatic heteropolycyclic compoundhydrocarbon derivativemedium-chain fatty acidhydroxy fatty acidbenzenoidorganooxygen compound |
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