| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:15 UTC |
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| Update Date | 2025-03-25 01:00:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02243002 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17Cl |
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| Molecular Mass | 208.1019 |
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| SMILES | C=C(C)c1cc(C(C)(C)C)ccc1Cl |
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| InChI Key | FPMJDBUSRRUYAH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpropenes |
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| Direct Parent | phenylpropenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chlorideschlorobenzeneshydrocarbon derivativesorganochloridesphenylpropanes |
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| Substituents | aryl chloridechlorobenzeneorganochlorideorganohalogen compoundaryl halidephenylpropanearomatic homomonocyclic compoundphenylpropenehydrocarbon derivativehalobenzene |
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