| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:13 UTC |
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| Update Date | 2025-03-21 17:58:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018017 |
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| Frequency | 231.4 |
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| Structure | |
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| Chemical Formula | C22H24O12 |
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| Molecular Mass | 480.1268 |
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| SMILES | COC(=O)C1OC(Oc2cc(O)c3c(c2)OC(c2ccc(OC)c(O)c2)CO3)C(O)C(O)C1O |
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| InChI Key | JSMWTDRTTQRVFH-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 compoundsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmethyl estersmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanespara dioxinsphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetherglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxidemethyl esteracetalaromatic heteropolycyclic compoundoxanealcohol2-phenylbenzo-1,4-dioxanebenzo-1,4-dioxanepyran carboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpara-dioxinpyrananisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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