| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:55 UTC |
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| Update Date | 2025-03-25 00:53:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201092 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H16O5S |
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| Molecular Mass | 320.0718 |
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| SMILES | COc1cc(C2Oc3ccc(O)c(S)c3CC2O)ccc1O |
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| InChI Key | MKHCELCRFOXUDA-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 | o-methylated flavonoids |
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| Direct Parent | 3'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-hydroxyflavonoids6-hydroxyflavonoidsalkyl aryl ethersanisolesflavan-3-olshydrocarbon derivativesmethoxybenzenesmethoxyphenolsoxacyclic compoundsphenoxy compoundssecondary alcoholsthiolsthiophenols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundthiophenolaromatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran6-hydroxyflavonoidarylthiolmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisolesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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