| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:52 UTC |
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| Update Date | 2025-03-25 00:49:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171270 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O7 |
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| Molecular Mass | 332.0896 |
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| SMILES | COc1cc(C2C(=O)c3cc(O)c(OC)cc3OC2O)ccc1O |
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| InChI Key | HJCSRQRXWWRRJQ-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-hydroxy-2-unsubstituted benzenoids2-hydroxyisoflavanones7-o-methylated isoflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromoneshemiacetalshydrocarbon derivativesisoflavanolsmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyether2-hydroxyisoflavanonearyl alkyl ketone1-benzopyranisoflavanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherisoflavanoneketoneorganic oxidechromone3p-methoxyisoflavonoid-skeletonaromatic heteropolycyclic compoundchromanehemiacetalorganoheterocyclic compoundisoflavanbenzopyranmethoxybenzeneoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compound7-methoxyisoflavonoid-skeletonorganooxygen compoundaryl ketone |
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