| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:28 UTC |
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| Update Date | 2025-03-21 18:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032455 |
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| Frequency | 112.5 |
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| Structure | |
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| Chemical Formula | C14H18O9 |
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| Molecular Mass | 330.0951 |
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| SMILES | COc1cc(C(O)CO)ccc1OC1OC(C(=O)O)C(O)C1O |
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| InChI Key | MMGFMPDCJCGTQT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenol ethers |
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| Subclass | anisoles |
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| Direct Parent | anisoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersaromatic alcoholsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsphenoxy compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholmonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativebeta-hydroxy acidsaccharideorganic oxideacetalprimary alcoholorganoheterocyclic compoundalcoholtetrahydrofuranhydroxy acidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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