| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:59 UTC |
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| Update Date | 2025-03-21 18:34:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102940 |
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| Frequency | 26.4 |
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| Structure | |
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| Chemical Formula | C23H24O13 |
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| Molecular Mass | 508.1217 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(OC4OC(C(=O)O)C(O)C(O)C(O)C4O)cc3O2)cc1O |
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| InChI Key | DUVCDEDHHYGPTK-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 | 4'-o-methylated flavonoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids3'-hydroxyflavonoids5-hydroxyflavonoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidschromonesflavanoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxepanesphenoxy compoundssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketone1-benzopyranflavanoneflavan1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketonebeta-hydroxy acidorganic oxideacetalchromonearomatic heteropolycyclic compoundchromaneorganoheterocyclic compoundalcoholbenzopyran5-hydroxyflavonoidhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzene3'-hydroxyflavonoidoxepaneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcohol4p-methoxyflavonoid-skeletonphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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