| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:21 UTC |
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| Update Date | 2025-03-25 00:47:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158783 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3S |
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| Molecular Mass | 253.0773 |
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| SMILES | Oc1ccc2[nH]cc(CC(O)C(O)CS)c2c1 |
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| InChI Key | NLHZLAVWOGXHNY-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkylthiolsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundspyrrolessecondary alcohols |
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| Substituents | alcoholazacycleindoleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundalkylthiolorganooxygen compound1,2-diol |
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