| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:01 UTC |
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| Update Date | 2025-03-25 00:46:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153537 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O6S |
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| Molecular Mass | 350.0824 |
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| SMILES | COc1ccc(C2Oc3ccc(S(=O)O)cc3CC2O)cc1OC |
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| InChI Key | NZCWDDZRUZGHHH-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-benzopyrans3-hydroxyflavonoids4'-o-methylated flavonoidsalkyl aryl ethersanisolesdimethoxybenzenesflavan-3-olshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivativealkyl aryl etherorganosulfur compoundsulfinic aciddimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzenechromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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