| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-21 00:26:30 UTC |
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| Update Date | 2025-03-21 18:39:28 UTC |
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| HMDB ID | HMDB0253689 |
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| Metabolite Identification |
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| DeepMet ID | DMID00125855 |
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| Name | ISOSAFROLE |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C10H10O2 |
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| Molecular Mass | 162.0681 |
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| SMILES | CC=Cc1ccc2c(c1)OCO2 |
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| InChI Key | VHVOLFRBFDOUSH-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 | acetalsbenzenoidshydrocarbon derivativesorganooxygen compoundsoxacyclic compounds |
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| Substituents | oxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
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