| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:57 UTC |
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| Update Date | 2025-03-21 18:00:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028885 |
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| Frequency | 129.9 |
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| Structure | |
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| Chemical Formula | C17H18O8S |
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| Molecular Mass | 382.0722 |
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| SMILES | COc1cc(C2Oc3cc(S(=O)O)cc(O)c3CC2O)cc(O)c1OC |
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| InChI Key | CQXCRSLGIWQMGG-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 benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids4'-o-methylated flavonoids5-hydroxyflavonoidsalkyl aryl ethersanisolesdimethoxybenzenesflavan-3-olshydrocarbon derivativesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivativemethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic aciddimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzenechromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeleton3'-hydroxyflavonoidoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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