| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:51 UTC |
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| Update Date | 2025-03-25 00:53:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200946 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H26O13 |
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| Molecular Mass | 462.1373 |
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| SMILES | COc1cc(CC(CC(=O)OCOC2OC(C(O)O)C(O)C(O)C2O)C(=O)O)ccc1O |
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| InChI Key | MMSKHVUVCRKAHX-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 | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolescarbonyl compoundscarbonyl hydratescarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidcarbonyl hydratearomatic heteromonocyclic compound3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholmethoxybenzeneoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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