| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:19 UTC |
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| Update Date | 2025-03-21 18:03:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046516 |
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| Frequency | 72.0 |
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| Structure | |
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| Chemical Formula | C9H8O4 |
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| Molecular Mass | 180.0423 |
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| SMILES | O=C1CC(O)Oc2cc(O)ccc21 |
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| InChI Key | DGFFFCUVSIQHTO-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 benzenoidsaryl alkyl ketonesbenzenoidshemiacetalshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidketoneoxacycleorganic oxideorganic oxygen compoundchromonearomatic heteropolycyclic compoundhemiacetalhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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