| 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 | DMID00119928 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C8H6Cl2O |
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| Molecular Mass | 187.9796 |
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| SMILES | Clc1cc2c(cc1Cl)OCC2 |
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| InChI Key | JMVILIGYVNYOTJ-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 | coumarans |
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| Subclass | coumarans |
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| Direct Parent | coumarans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridesbenzenoidshydrocarbon derivativesorganochloridesoxacyclic compounds |
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| Substituents | aryl chlorideetherorganochloridealkyl aryl etherorganohalogen compoundaryl halideoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidcoumaranorganooxygen compound |
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