| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:34 UTC |
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| Update Date | 2025-03-21 18:01:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035065 |
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| Frequency | 102.0 |
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| Structure | |
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| Chemical Formula | C23H24O14 |
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| Molecular Mass | 524.1166 |
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| SMILES | COc1ccc(C2COc3c(O)cc(OC4OC(C(=O)O)C(C(=O)O)C(O)C(O)C4O)cc3O2)cc1O |
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| InChI Key | VMCXSEBIBWBXEX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzo-1,4-dioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesbenzo-1,4-dioxanesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesoxacyclic compoundsoxepanespara dioxinsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidorganic oxideacetalaromatic heteropolycyclic compoundalcohol2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanehydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxepaneoxacycleorganic oxygen compoundpara-dioxinanisolesecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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