| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:30 UTC |
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| Update Date | 2025-03-21 18:03:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046958 |
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| Frequency | 71.1 |
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| Structure | |
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| Chemical Formula | C16H16O6S |
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| Molecular Mass | 336.0668 |
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| SMILES | COc1cc(C2CCc3c(O)cc(S(=O)O)cc3O2)ccc1O |
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| InChI Key | MHUWNKVBQYTMSS-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 benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoidsalkyl aryl ethersanisolesflavanshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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