| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:40:17 UTC |
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| Update Date | 2025-03-21 17:58:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00016033 |
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| Frequency | 268.7 |
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| Structure | |
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| Chemical Formula | C20H18O10 |
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| Molecular Mass | 418.09 |
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| SMILES | O=C1CC(c2ccc(O)cc2)Oc2cc(O)cc(OC3OC(C(=O)O)C(O)C3O)c21 |
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| InChI Key | PBBHWBCGQJVEJK-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 | flavans |
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| Direct Parent | flavanones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids4'-hydroxyflavonoids7-hydroxyflavonoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidschromoneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenol etherssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativeketonebeta-hydroxy acidsaccharideorganic oxideacetalchromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compound1,2-diolalcoholbenzopyrantetrahydrofuranhydroxy acidoxacyclemonocarboxylic acid or derivativesorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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