| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:57 UTC |
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| Update Date | 2025-03-21 18:29:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076418 |
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| Frequency | 38.5 |
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| Structure | |
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| Chemical Formula | C12H14O2 |
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| Molecular Mass | 190.0994 |
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| SMILES | Cc1ccc2c(c1)OC(C)(C)CC2=O |
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| InChI Key | YSZSUKOHOKTKBI-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 | benzopyrans |
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| Subclass | 1-benzopyrans |
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| Direct Parent | 2,2-dimethyl-1-benzopyrans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl alkyl ketonesbenzenoidschromoneshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | etheraryl alkyl ketone2,2-dimethyl-1-benzopyranalkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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