| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:38 UTC |
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| Update Date | 2025-03-21 18:05:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00056514 |
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| Frequency | 56.4 |
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| Structure | |
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| Chemical Formula | C13H14O4 |
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| Molecular Mass | 234.0892 |
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| SMILES | c1cc2c(cc1C1OCC3COCC31)OCO2 |
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| InChI Key | PUTNEPAYGVAWEJ-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 | benzodioxoles |
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| Subclass | benzodioxoles |
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| Direct Parent | benzodioxoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetalsbenzenoidsdialkyl ethersfurofuranshydrocarbon derivativesoxacyclic compoundstetrahydrofurans |
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| Substituents | ethertetrahydrofurandialkyl etheroxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundfurofuranhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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