| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:42 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200597 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H20O7 |
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| Molecular Mass | 360.1209 |
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| SMILES | COc1ccc(C2COc3c(cc(OC)c(OC)c3OC)C2=O)cc1O |
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| InChI Key | CXQPXKLQORHFBP-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids6-o-methylated isoflavonoids7-o-methylated isoflavonoids8-o-methylated isoflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromoneshydrocarbon derivativesisoflavanolsisoflavanonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenol8-methoxyisoflavonoid-skeletonalkyl aryl etherisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundisoflavanbenzopyran3'-hydroxy,4'-methoxyisoflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycle6-methoxyisoflavonoid-skeletonorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compound7-methoxyisoflavonoid-skeletonorganooxygen compoundaryl ketone |
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