| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:20 UTC |
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| Update Date | 2025-03-21 17:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004621 |
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| Frequency | 1210.3 |
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| Structure | |
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| Chemical Formula | C8H11NO4 |
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| Molecular Mass | 185.0688 |
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| SMILES | NCC(O)c1cc(O)c(O)c(O)c1 |
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| InChI Key | OOIVRZQMFBOFLZ-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 | benzenetriols and derivatives |
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| Direct Parent | pyrogallols and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsaromatic alcoholsbenzene and substituted derivativeshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietypyrogallol derivative1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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