| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:00 UTC |
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| Update Date | 2025-03-25 00:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235629 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO5S |
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| Molecular Mass | 335.0827 |
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| SMILES | COc1ccc(C2Oc3cc(O)cc(S(=O)O)c3CC2N)cc1 |
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| InChI Key | RJQQULYKNMNRAL-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 | 4'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxyflavonoidsalkyl aryl ethersanisolesflavanshydrocarbon derivativesmethoxybenzenesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfur compoundsoxacyclic compoundsphenoxy compoundssulfinic acids |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyranflavansulfinic acid derivative1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganosulfur compoundsulfinic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundchromaneorganoheterocyclic compoundbenzopyranmethoxybenzeneoxacycleorganic oxygen compoundanisole7-hydroxyflavonoid4p-methoxyflavonoid-skeletonhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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