| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:28 UTC |
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| Update Date | 2025-03-21 18:36:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00109055 |
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| Frequency | 24.5 |
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| Structure | |
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| Chemical Formula | C15H12O9S |
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| Molecular Mass | 368.0202 |
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| SMILES | O=C1c2c(O)cc(O)cc2OC(OS(=O)(=O)O)C1c1ccc(O)cc1 |
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| InChI Key | QCKNHKGSZPXXQH-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 | isoflavonoids |
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| Subclass | isoflavans |
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| Direct Parent | isoflavanones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaryl alkyl ketonesbenzene and substituted derivativeschromoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsoxacyclic compoundssulfuric acid monoestersvinylogous acids |
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| Substituents | monocyclic benzene moietysulfuric acid monoesteraryl alkyl ketone1-benzopyran1-hydroxy-2-unsubstituted benzenoidisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundalkyl sulfatechromaneorganoheterocyclic compoundbenzopyranorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacyclevinylogous acidorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidsulfuric acid esterorganooxygen compoundaryl ketone |
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