| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:31 UTC |
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| Update Date | 2025-03-21 18:38:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123512 |
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| Frequency | 20.9 |
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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)cc2)Oc2cc(OC3OC(C(=O)O)C(O)C(O)C(O)C3O)cc(O)c21 |
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| InChI Key | NKRPQCAYNXKROR-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-hydroxyflavonoidsacetalsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidschromoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanesphenol etherssecondary alcoholsvinylogous 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 oxideacetalchromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxepaneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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