| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:58 UTC |
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| Update Date | 2025-03-21 18:35:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105362 |
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| Frequency | 25.6 |
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| Structure | |
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| Chemical Formula | C9H6O5 |
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| Molecular Mass | 194.0215 |
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| SMILES | O=C1CC(=O)c2c(O)cc(O)cc2O1 |
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| InChI Key | NBKJEXGXLVJGGT-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 benzenoids3,4-dihydrocoumarinsaryl alkyl ketonesbenzenoidscarboxylic acid estershydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
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| Substituents | carbonyl grouparyl alkyl ketone1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketonelactoneorganic oxidechromonearomatic heteropolycyclic compound3,4-dihydrocoumarin1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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