| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:02 UTC |
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| Update Date | 2025-03-25 00:58:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233360 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H14O5 |
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| Molecular Mass | 286.0841 |
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| SMILES | COc1cccc2c1C(=O)C(c1ccc(O)cc1)C(O)O2 |
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| InChI Key | LTWIIEHGGLCXRM-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 | 5-o-methylated isoflavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids2-hydroxyisoflavanonesalkyl aryl ethersanisolesaryl alkyl ketonesbenzene and substituted derivativeschromoneshemiacetalshydrocarbon derivativesisoflavanolsorganic oxidesoxacyclic compounds |
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| Substituents | phenol ethermonocyclic benzene moietyether2-hydroxyisoflavanonearyl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisoflavanoneketoneorganic oxidechromonearomatic heteropolycyclic compoundchromanehemiacetalorganoheterocyclic compound5-methoxyisoflavonoid-skeletonisoflavanbenzopyranoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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