| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:15 UTC |
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| Update Date | 2025-03-21 18:06:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00065109 |
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| Frequency | 47.1 |
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| Structure | |
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| Chemical Formula | C15H12O6S |
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| Molecular Mass | 320.0355 |
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| SMILES | O=C1c2c(cc(O)cc2S(=O)O)OCC1c1ccc(O)cc1 |
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| InChI Key | PSGKPPUJFVABSP-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 | isoflavanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativeschromoneshydrocarbon derivativesisoflavanonesorganic oxidesorganosulfur compoundsoxacyclic compoundssulfinic acids |
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| Substituents | monocyclic benzene moietyetheraryl alkyl ketone1-benzopyransulfinic acid derivativeisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyranoxacycleorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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