| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:52 UTC |
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| Update Date | 2025-03-25 01:01:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249062 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O9S |
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| Molecular Mass | 396.0515 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(OS(=O)O)c3C(=O)C2O)cc1OC |
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| InChI Key | ATGDUQPCYRNYLQ-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-hydroxy-2-unsubstituted benzenoids3-hydroxyflavonoids4'-o-methylated flavonoids7-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesdimethoxybenzenesflavanonolshydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidetheraryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketonedimethoxybenzeneorganic oxidechromonearomatic heteropolycyclic compoundo-dimethoxybenzenechromaneorganoheterocyclic compoundalcoholbenzopyranflavanonolmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisole7-hydroxyflavonoidsecondary alcohol4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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