| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:31 UTC |
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| Update Date | 2025-03-25 00:51:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186520 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11NO5S |
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| Molecular Mass | 233.0358 |
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| SMILES | NCC(O)c1cc(O)c(O)c(S(=O)O)c1 |
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| InChI Key | IDZLEUVENHWXKE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundssecondary alcoholssulfinic acids |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietysulfinic acid derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundsulfinic acidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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