| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:56 UTC |
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| Update Date | 2025-03-21 18:02:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035965 |
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| Frequency | 98.7 |
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| Structure | |
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| Chemical Formula | C22H22O12 |
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| Molecular Mass | 478.1111 |
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| SMILES | O=C1CC(c2ccc(O)c(OC3C(O)C(O)C(O)C(O)C3C(=O)O)c2)Oc2cc(O)cc(O)c21 |
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| InChI Key | GMUXRPIPWKLDSW-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids4'-hydroxyflavonoids5-hydroxyflavonoids7-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonescyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethersphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyrancyclohexanol5-hydroxyflavonoidcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcoholoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compound7-hydroxyflavonoidsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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