| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:50 UTC |
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| Update Date | 2025-03-21 17:56:24 UTC |
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| HMDB ID | HMDB0014389 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001095 |
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| Name | Mesalazine |
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| Frequency | 5274.0 |
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| Structure | |
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| Chemical Formula | C7H7NO3 |
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| Molecular Mass | 153.0426 |
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| SMILES | Nc1ccc(O)c(C(=O)O)c1 |
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| InChI Key | KBOPZPXVLCULAV-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | salicylic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsamino acidsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous acids |
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| Substituents | carboxylic acidamino acid or derivativesamino acidbenzoyl1-hydroxy-2-unsubstituted benzenoidsalicylic acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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