| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:22 UTC |
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| Update Date | 2025-03-25 00:46:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156641 |
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| Frequency | 0.5 |
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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(O)c2)Oc2c(O)cc(OC3C(O)C(O)C(O)C(O)C3C(=O)O)cc21 |
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| InChI Key | YFXCQIRWVPSTEC-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 benzenoids3'-hydroxyflavonoids4'-hydroxyflavonoids8-hydroxyflavonoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativesbeta hydroxy acids and derivativescarboxylic acidschromonescyclitols and derivativescyclohexanolshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenol ethers |
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| Substituents | 8-hydroxyflavonoidphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanone1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeketonebeta-hydroxy acidorganic oxidechromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyrancyclohexanolcyclitol or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidcyclic alcohol3'-hydroxyflavonoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcohol4'-hydroxyflavonoidphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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