| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:43 UTC |
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| Update Date | 2025-03-21 18:35:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107196 |
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| Frequency | 25.1 |
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| Structure | |
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| Chemical Formula | C13H18N2O3S |
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| Molecular Mass | 282.1038 |
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| SMILES | COc1ccc2[nH]cc(CCN(C)S(C)(=O)=O)c2c1 |
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| InChI Key | FYFUSWXHRHKBKB-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersaminosulfonyl compoundsanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganic sulfonamidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidespyrroles |
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| Substituents | phenol etherorganosulfonic acid or derivativesetherindolealkyl aryl etherorganosulfur compoundorganosulfonic acid amideorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundazacycleaminosulfonyl compoundheteroaromatic compoundsulfonylorganic oxygen compoundorganic sulfonic acid or derivativesanisolepyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganic sulfonic acid amideorganooxygen compound |
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