| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:42 UTC |
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| Update Date | 2025-03-21 18:33:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094864 |
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| Frequency | 29.3 |
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| Structure | |
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| Chemical Formula | C16H16O5 |
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| Molecular Mass | 288.0998 |
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| SMILES | COc1cc(C2COc3c(O)cc(O)cc3C2)ccc1O |
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| InChI Key | ZCSVLTAIILOJSN-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 benzenoids1-hydroxy-4-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 compoundisoflavanbenzopyran1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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