| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:10 UTC |
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| Update Date | 2025-03-25 00:59:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235995 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H18O10 |
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| Molecular Mass | 358.09 |
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| SMILES | COc1cc(CC(O)C(=O)O)ccc1OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | YKQQGXRFRPPCKP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersalpha hydroxy acids and derivativesanisolesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidalpha-hydroxy acidmonosaccharidealkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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