| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:10 UTC |
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| Update Date | 2025-03-21 18:01:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034145 |
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| Frequency | 105.6 |
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| Structure | |
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| Chemical Formula | C16H14O6 |
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| Molecular Mass | 302.079 |
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| SMILES | COc1ccc(C2COc3c(O)cc(O)cc3C2=O)cc1O |
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| InChI Key | XBVKOJNHXDKJKE-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 benzenoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromoneshydrocarbon derivativesisoflavanolsisoflavanonesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundisoflavanbenzopyran3'-hydroxy,4'-methoxyisoflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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