Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:16:25 UTC |
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Update Date | 2025-03-21 18:34:34 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00101523 |
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Frequency | 26.9 |
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Structure | |
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Chemical Formula | C12H16O7 |
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Molecular Mass | 272.0896 |
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SMILES | O=C(OCC(O)C(O)C(O)CO)c1ccccc1O |
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InChI Key | FIBDLYJJDCFFTK-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 | o-hydroxybenzoic acid esters |
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Geometric Descriptor | aromatic homomonocyclic compounds |
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Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesprimary alcoholssalicylic acid and derivativessecondary alcoholsvinylogous acids |
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Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideprimary alcoholalcohol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholphenolhydrocarbon derivativeorganooxygen compound |
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