| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:15 UTC |
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| Update Date | 2025-03-21 18:30:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081997 |
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| Frequency | 35.3 |
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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 | COc1cc(C2Oc3cc(O)cc(S(=O)O)c3CC2(C)O)ccc1O |
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| InChI Key | XHWPRFKNNLTWLE-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-hydroxyflavonoidsalkyl aryl ethersanisolesflavanshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesorganosulfur compoundsoxacyclic compoundsphenoxy compoundssulfinic acidstertiary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyranmethoxybenzene3p-methoxyflavonoid-skeletonoxacycletertiary alcoholorganic oxygen compoundanisole7-hydroxyflavonoid4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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