| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:53 UTC |
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| Update Date | 2025-03-21 17:57:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010541 |
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| Frequency | 446.0 |
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| Structure | |
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| Chemical Formula | C18H22O12 |
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| Molecular Mass | 430.1111 |
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| SMILES | COc1cc(C=CC(=O)OCOC2OC(C(=O)O)C(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | MHPMJGIPHYGGDK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdimethoxybenzenesenoate estersfatty acid estersglucuronic acid derivativeshydrocarbon derivativeshydroxycinnamic acidsmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidhydroxycinnamic acid or derivatives1-o-glucuronidedimethoxybenzenealpha,beta-unsaturated carboxylic estercinnamic acid or derivativesbeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholpyran carboxylic acid or derivativeshydroxy acidmethoxybenzenehydroxycinnamic acidoxacyclefatty acid esterm-dimethoxybenzenepyrananisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compound |
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