| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:02 UTC |
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| Update Date | 2025-03-21 18:05:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055123 |
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| Frequency | 58.1 |
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| Structure | |
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| Chemical Formula | C16H14O6 |
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| Molecular Mass | 302.079 |
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| SMILES | COc1ccc(C2Oc3ccc(O)cc3C(=O)C2O)cc1O |
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| InChI Key | MGEJLCBERJFGIV-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 | 4'-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 benzenoids3'-hydroxyflavonoids3-hydroxyflavonoids6-hydroxyflavonoidsalkyl aryl ethersanisolesaryl alkyl ketoneschromonesflavanonolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moiety3-hydroxyflavonoidetheraryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyran6-hydroxyflavonoidflavanonol1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxacycleorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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