| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:46 UTC |
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| Update Date | 2025-03-21 18:35:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107359 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C16H14O7 |
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| Molecular Mass | 318.074 |
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| SMILES | COc1ccc(C2C(=O)c3c(O)cc(O)cc3OC2O)cc1O |
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| InChI Key | WTHOSGVHYPWQRE-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 benzenoids2-hydroxyisoflavanonesalkyl aryl ethersanisolesaryl alkyl ketoneschromoneshemiacetalshydrocarbon derivativesisoflavanolsmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyether2-hydroxyisoflavanonearyl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanehemiacetalorganoheterocyclic compoundisoflavanbenzopyran3'-hydroxy,4'-methoxyisoflavonoid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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