| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:47 UTC |
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| Update Date | 2025-03-25 01:01:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248900 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H20O11 |
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| Molecular Mass | 460.1006 |
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| SMILES | COc1cc2c(=O)cc(-c3ccc(O)cc3)oc2cc1OC1C(O)OC(C(=O)O)C(O)C1O |
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| InChI Key | QFCCOJNWEXFNJE-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 | 6-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoidsalkyl aryl ethersanisolesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidschromonesflavonoidsglucuronic acid derivativeshemiacetalsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanespyran carboxylic acidspyranones and derivativessecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglucuronic acid or derivatives1-benzopyran6-methoxyflavonoid-skeleton1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxidechromonearomatic heteropolycyclic compoundpyranonehemiacetaloxaneorganoheterocyclic compound1,2-diolalcoholbenzopyranpyran carboxylic acid or derivativesheteroaromatic compoundhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compound |
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