| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:13 UTC |
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| Update Date | 2025-03-21 18:37:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00115709 |
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| Frequency | 22.7 |
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| Structure | |
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| Chemical Formula | C12H16N2O3S |
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| Molecular Mass | 268.0882 |
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| SMILES | CN(C)CCc1c[nH]c2ccc(S(=O)(=O)O)cc12 |
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| InChI Key | QMHJMGLVNXSWDW-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 | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsorganosulfonic acidspyrrolessulfonylstrialkylamines |
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| Substituents | organosulfonic acid or derivativesindoleorganosulfonic acidorganosulfur compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amine1-sulfo,2-unsubstituted aromatic compoundazacycleheteroaromatic compoundtertiary aliphatic aminesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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