| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:00 UTC |
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| Update Date | 2025-03-25 01:01:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251695 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H5ClO3 |
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| Molecular Mass | 183.9927 |
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| SMILES | O=C1c2cc(Cl)ccc2OC1O |
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| InChI Key | RXGSUTIJRIRSKO-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 | aryl alkyl ketonesaryl chloridesbenzenoidscoumaranshemiacetalshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compoundsoxacyclic compounds |
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| Substituents | aryl chloridearyl alkyl ketonebenzofuranoneorganochlorideorganohalogen compoundaryl halideketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhemiacetalhydrocarbon derivativebenzenoidcoumaranorganooxygen compoundaryl ketone |
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