| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:59 UTC |
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| Update Date | 2025-03-21 18:38:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119935 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C9H6O4 |
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| Molecular Mass | 178.0266 |
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| SMILES | COc1ccc2c(c1)OC(=O)C2=O |
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| InChI Key | BJLMJXUETLTPDL-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 | benzofurans |
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| Subclass | benzofuranones |
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| Direct Parent | benzofuranones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaryl ketonescarboxylic acid esterscoumaranshydrocarbon derivativeslactonesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | phenol ethercarbonyl groupetherbenzofuranonealkyl aryl ethercarboxylic acid derivativeketonelactoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundanisolecarboxylic acid esterhydrocarbon derivativebenzenoidcoumaranorganooxygen compoundaryl ketone |
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