| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:43 UTC |
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| Update Date | 2025-03-25 00:48:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02170930 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13NOS |
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| Molecular Mass | 207.0718 |
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| SMILES | CNCC(O)c1csc2ccccc12 |
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| InChI Key | QKEWWXURSXLWCT-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 | aromatic alcoholsbenzenoidsdialkylaminesheteroaromatic compoundshydrocarbon derivativesorganopnictogen compoundssecondary alcoholsthiophenes |
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| Substituents | aromatic alcoholalcoholsecondary aliphatic amineheteroaromatic compoundthiophenesecondary amineorganic oxygen compoundaromatic heteropolycyclic compound1-benzothiopheneorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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