| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:20 UTC |
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| Update Date | 2025-03-25 01:00:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240867 |
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| Frequency | 0.5 |
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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 | CC(C)C1(C=O)CC(=O)c2ccc(O)cc2O1 |
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| InChI Key | RSZQNKJCBBWIJO-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 | chromones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaldehydesalkyl aryl ethersaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl groupetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidaldehydealkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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