| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155741 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O4S |
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| Molecular Mass | 304.0769 |
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| SMILES | CSc1c(O)ccc2c1CC(O)C(c1ccc(O)cc1)O2 |
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| InChI Key | KKAWJWRZUCPYMZ-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 | 3-hydroxyflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids6-hydroxyflavonoidsalkyl aryl ethersalkylarylthioethersbenzene and substituted derivativesflavan-3-olshydrocarbon derivativesoxacyclic compoundssecondary alcoholssulfenyl compoundsthiophenol ethersthiophenols |
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| Substituents | monocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheralkylarylthioetherorganosulfur compoundaryl thioetherthiophenolaromatic heteropolycyclic compoundthiophenol etherchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyransulfenyl compound6-hydroxyflavonoidoxacycleorganic oxygen compoundthioethersecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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