| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:08 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224735 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17NO8 |
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| Molecular Mass | 315.0954 |
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| SMILES | Nc1ccc(C(=O)OCC2OC(O)C(O)C(O)C2O)cc1O |
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| InChI Key | DTVKETBJVSAMHI-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 | m-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsamino acids and derivativesbenzoyl derivativescarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesprimary aminessecondary alcohols |
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| Substituents | aromatic heteromonocyclic compoundamino acid or derivativesbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxanem-hydroxybenzoic acid esterorganoheterocyclic compoundalcohol1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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