| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:16 UTC |
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| Update Date | 2025-03-21 18:41:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134660 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C12H14O5 |
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| Molecular Mass | 238.0841 |
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| SMILES | CC(C)(O)C1CC(=O)c2c(O)cc(O)cc2O1 |
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| InChI Key | VWMYJDRNZNTJCL-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzenoidshydrocarbon derivativesorganic oxidesoxacyclic compoundstertiary alcoholsvinylogous acids |
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| Substituents | alcoholetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidtertiary alcoholorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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