| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:11 UTC |
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| Update Date | 2025-03-21 18:02:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038986 |
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| Frequency | 89.5 |
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| Structure | |
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| Chemical Formula | C16H12O4 |
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| Molecular Mass | 268.0736 |
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| SMILES | COc1ccc(-c2cc3ccc(O)cc3oc2=O)cc1 |
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| InChI Key | VGYCHSOZFBOOKO-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 | isoflav-3-enes |
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| Direct Parent | isoflav-3-enones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids7-hydroxycoumarinsalkyl aryl ethersanisolescoumarins and derivativesheteroaromatic compoundshydrocarbon derivativesisoflavonoidslactonesmethoxybenzenesorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherisoflav-3-enone skeletonlactoneorganic oxidearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyran7-hydroxycoumarinheteroaromatic compoundmethoxybenzenecoumarinoxacycleorganic oxygen compoundpyrananisolehydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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