| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:16 UTC |
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| Update Date | 2025-03-25 00:50:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179122 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O3S |
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| Molecular Mass | 302.0977 |
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| SMILES | CSc1cc(O)cc2c1C(C)CC(c1ccc(O)cc1)O2 |
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| InChI Key | DPFOMLBGKOMLIM-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 | hydroxyflavonoids |
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| Direct Parent | 7-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoidsalkyl aryl ethersalkylarylthioethersbenzene and substituted derivativesflavanshydrocarbon derivativesoxacyclic compoundssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moietyether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherthiophenolaromatic heteropolycyclic compoundthiophenol etherchromaneorganoheterocyclic compoundbenzopyransulfenyl compoundoxacycleorganic oxygen compoundthioether7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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