| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:42 UTC |
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| Update Date | 2025-03-21 18:01:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033014 |
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| Frequency | 110.3 |
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| Structure | |
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| Chemical Formula | C16H12O6 |
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| Molecular Mass | 300.0634 |
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| SMILES | COc1cc(-c2cc(=O)c3cc(O)cc(O)c3o2)ccc1O |
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| InChI Key | NGTCDKBFBMTUAX-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 | flavonoids |
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| Subclass | o-methylated flavonoids |
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| Direct Parent | 3'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids6-hydroxyflavonoids8-hydroxyflavonoidsalkyl aryl ethersanisoleschromonesflavonoidsheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundspyranones and derivatives |
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| Substituents | 8-hydroxyflavonoidphenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherorganic oxidechromonearomatic heteropolycyclic compoundpyranoneorganoheterocyclic compoundbenzopyran6-hydroxyflavonoidheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3p-methoxyflavonoid-skeletonoxacycleorganic oxygen compoundpyrananisole4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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