| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:58 UTC |
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| Update Date | 2025-03-25 00:56:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217456 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H22O12 |
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| Molecular Mass | 490.1111 |
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| SMILES | O=C1CCc2cc(OC3OC(C(=O)O)C(O)C(O)C3O)c3c(c21)OC(c1ccc(O)c(O)c1)CO3 |
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| InChI Key | IHBUOEVKFYLXJN-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 ethersaryl alkyl ketonesbenzene and substituted derivativesbenzo-1,4-dioxanesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesindanonesmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespara dioxinsphenol etherspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxanealcohol2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanepyran carboxylic acid or derivativesindanonehydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinpyranindanesecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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