| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:50 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200917 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7ClO3 |
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| Molecular Mass | 198.0084 |
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| SMILES | COc1ccc2c(c1)OC(Cl)C2=O |
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| InChI Key | WRKIMZBPVPLYTA-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 ethersalkyl chloridesalpha-chloroketonesanisolesaryl alkyl ketonescoumaranshydrocarbon derivativesorganic oxidesorganochloridesoxacyclic compounds |
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| Substituents | phenol etheretheraryl alkyl ketonebenzofuranonealkyl chlorideorganochloridealkyl aryl etherorganohalogen compoundketoneorganic oxidearomatic heteropolycyclic compoundalpha-haloketonealkyl halidecoumaranalpha-chloroketoneoxacycleorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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