| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:40 UTC |
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| Update Date | 2025-03-25 00:51:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NOS |
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| Molecular Mass | 221.0874 |
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| SMILES | NCCSCC(C=O)=Cc1ccccc1 |
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| InChI Key | BPNITJIGNYADEV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | cinnamaldehydes |
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| Subclass | cinnamaldehydes |
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| Direct Parent | cinnamaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aldehydesbenzene and substituted derivativesdialkylthioethershydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfenyl compounds |
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| Substituents | monocyclic benzene moietycinnamaldehydecarbonyl groupsulfenyl compounddialkylthioetheraldehydeorganosulfur compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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