| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:21 UTC |
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| Update Date | 2025-03-21 18:31:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086916 |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C9H4O4 |
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| Molecular Mass | 176.011 |
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| SMILES | O=C1Oc2ccccc2C(=O)C1=O |
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| InChI Key | ZFZQXHBTZFQPGK-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 | 3,4-dihydrocoumarinsaryl ketonesbenzenoidscarboxylic acid esterscyclic ketoneshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | carbonyl group3,4-dihydrocoumarincyclic ketonecarboxylic acid derivativeketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundchromonearomatic heteropolycyclic compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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