| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:48 UTC |
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| Update Date | 2025-03-21 18:07:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00068881 |
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| Frequency | 43.9 |
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| Structure | |
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| Chemical Formula | C15H14O5S |
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| Molecular Mass | 306.0562 |
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| SMILES | O=S(O)c1cc(O)cc2c1CC(c1ccc(O)cc1)CO2 |
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| InChI Key | HJYKJXSBWIJQPF-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-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundssulfinic acids |
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| Substituents | monocyclic benzene moietyetherbenzopyran1-benzopyransulfinic acid derivativeisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundchromanephenolhydrocarbon derivativebenzenoidorganoheterocyclic compoundorganooxygen compound |
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