| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:13 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183550 |
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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 | O=C(O)c1cc(Cl)c2c(c1)CCO2 |
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| InChI Key | VPFXDJOQZZVOCT-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 chloridesbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesoxacyclic compounds |
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| Substituents | aryl chlorideethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaryl halideoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativebenzenoidcoumaranorganooxygen compound |
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