| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:42:35 UTC |
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| Update Date | 2025-03-21 17:59:27 UTC |
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| HMDB ID | HMDB0041660 |
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| Metabolite Identification |
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| DeepMet ID | DMID00021105 |
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| Name | 3'-O-Methylequol |
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| Frequency | 190.1 |
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| Structure | |
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| Chemical Formula | C16H16O4 |
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| Molecular Mass | 272.1049 |
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| SMILES | COc1cc(C2COc3cc(O)ccc3C2)ccc1O |
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| InChI Key | BMADVHDZKAZTNF-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'-o-methylated isoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesisoflavanolsmethoxybenzenesmethoxyphenolsoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ether3p-methoxyisoflavonoid-skeletonaromatic heteropolycyclic compoundchromaneorganoheterocyclic compoundisoflavanbenzopyranmethoxybenzeneoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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