| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:17 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252312 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H11NO7S |
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| Molecular Mass | 277.0256 |
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| SMILES | Nc1ccc(C(O)CC(=O)O)cc1OS(=O)(=O)O |
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| InChI Key | AHPJDIYLAXJQHT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatesprimary aminessecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acid or derivativesamino acidcarboxylic acid derivativephenylsulfatebeta-hydroxy acidorganic oxideorganonitrogen compoundorganopnictogen compoundarylsulfatealcoholorganic sulfuric acid or derivativeshydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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