| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:21 UTC |
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| Update Date | 2025-03-21 17:57:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006952 |
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| Frequency | 736.0 |
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| Structure | |
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| Chemical Formula | C17H18O7S |
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| Molecular Mass | 366.0773 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(S(=O)O)c3CC2O)cc1OC |
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| InChI Key | VMKXKUFZCYTCMS-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'-o-methylated flavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesdimethoxybenzenesflavan-3-olshydrocarbon derivativesorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic aciddimethoxybenzeneorganic oxidearomatic heteropolycyclic compoundo-dimethoxybenzenechromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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