| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:22 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179338 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H23NO4 |
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| Molecular Mass | 341.1627 |
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| SMILES | COc1ccc(C2COc3c(OC)ccc4c3C2N(C)CC4)cc1O |
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| InChI Key | XKQWWCMIGILBKG-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 | isoflavonoids |
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| Subclass | o-methylated isoflavonoids |
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| Direct Parent | 3'-hydroxy,4'-methoxyisoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids8-o-methylated isoflavonoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundsbenzylisoquinolineshydrocarbon derivativesisoflavanolsmethoxybenzenesmethoxyphenolsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenol8-methoxyisoflavonoid-skeletonalkyl aryl etheraralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundchromanetertiary amineorganoheterocyclic compoundisoflavanbenzopyran3'-hydroxy,4'-methoxyisoflavonoidazacycletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidmethoxybenzenebenzylisoquinolineoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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