| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:09 UTC |
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| Update Date | 2025-03-21 18:04:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048511 |
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| Frequency | 68.3 |
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| Structure | |
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| Chemical Formula | C15H18O9 |
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| Molecular Mass | 342.0951 |
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| SMILES | COc1cc(CC=O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | YSMDABHBPUNNCP-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 ethersalpha-hydrogen aldehydesanisolesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsphenylacetaldehydespyran carboxylic acidssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesaldehydehydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesalpha-hydrogen aldehydepyrananisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundphenylacetaldehyde |
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