| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202503 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O9S |
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| Molecular Mass | 382.0359 |
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| SMILES | O=C(O)c1ccc(O)c(C(=O)CCc2ccc(OS(=O)(=O)O)cc2)c1O |
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| InChI Key | JHMOWFIXCYXGQT-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 | linear 1,3-diarylpropanoids |
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| Subclass | chalcones and dihydrochalcones |
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| Direct Parent | 2'-hydroxy-dihydrochalcones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl-phenylketonesaryl alkyl ketonesbenzoic acidsbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatesresorcinolssalicylic acidssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoester2'-hydroxy-dihydrochalconecarboxylic acidaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidcinnamylphenolsalicylic acidcarboxylic acid derivativeresorcinolketonephenylsulfateorganic oxidearylsulfate1-carboxy-2-haloaromatic compoundbenzoic acidorganic sulfuric acid or derivativesbenzoic acid or derivatives1-hydroxy-4-unsubstituted benzenoidphenylketonehydroxybenzoic acidbutyrophenonearomatic homomonocyclic compoundvinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativessulfate-esterphenolhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketoneorganooxygen compoundaryl ketone |
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