| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:34 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 | DMID02202541 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O10S |
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| Molecular Mass | 398.0308 |
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| SMILES | O=C(O)c1cc2c(cc1O)CC(OS(=O)(=O)O)C(c1ccc(O)c(O)c1)O2 |
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| InChI Key | LDHVDSFDQXULPW-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 | flavonoids |
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| Subclass | sulfated flavonoids |
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| Direct Parent | 3-sulfated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids6-hydroxyflavonoidsalkyl aryl ethersalkyl sulfatesbenzene and substituted derivativesflavan-3-olshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssalicylic acid and derivativessulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterethercarboxylic acid1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundalkyl sulfatechromane1-carboxy-2-haloaromatic compoundflavan-3-olorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives3-sulfated flavonoid6-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoid3'-hydroxyflavonoidhydroxybenzoic acidoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivatives4'-hydroxyflavonoidsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compound |
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