| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:35 UTC |
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| Update Date | 2025-03-25 00:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236907 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O11S |
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| Molecular Mass | 380.0413 |
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| SMILES | O=C(OC1OC(CO)C(OS(=O)(=O)O)C(O)C1O)c1ccccc1O |
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| InChI Key | FMYXRBKUWVDSDQ-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl sulfatesbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesprimary alcoholssalicylic acid and derivativessecondary alcoholssulfuric acid monoestersvinylogous acids |
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| Substituents | sulfuric acid monoesteraromatic heteromonocyclic compoundbenzoyl1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativesaccharideorganic oxideacetalalkyl sulfateoxaneprimary alcoholorganoheterocyclic compoundalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid estersecondary alcoholsulfate-esterphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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