| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:02 UTC |
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| Update Date | 2025-03-21 18:28:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00074234 |
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| Frequency | 40.0 |
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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 | COc1cc2c(c(S(=O)O)c1)CC(O)C(c1ccc(O)c(OC)c1)O2 |
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| InChI Key | HKIDDQZULGXUQN-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'-hydroxyflavonoids7-o-methylated flavonoidsalkyl aryl ethersanisolesflavan-3-olshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssecondary alcoholssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundchromaneflavan-3-olorganoheterocyclic compoundalcoholbenzopyranmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundanisolesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoid7-methoxyflavonoid-skeletonphenoxy compoundorganooxygen compound |
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