| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:57 UTC |
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| Update Date | 2025-03-25 01:00:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242309 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19NO2S |
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| Molecular Mass | 265.1136 |
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| SMILES | CC(C)NCC(O)COc1cccc2sccc12 |
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| InChI Key | UEZHNYWKASEYQG-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 | benzothiophenes |
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| Subclass | 1-benzothiophenes |
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| Direct Parent | 1-benzothiophenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundsphenol etherssecondary alcoholsthiophenes |
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| Substituents | alcoholphenol ethersecondary aliphatic amineetherheteroaromatic compoundthiophenealkyl aryl ethersecondary amineorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiopheneorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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