| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:24 UTC |
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| Update Date | 2025-03-25 00:46:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154437 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22O9 |
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| Molecular Mass | 358.1264 |
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| SMILES | COc1cc(CC(=O)OC2OC(C)C(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | VAGPJIMBNBUZPU-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 | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acid estersdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compoundmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativedimethoxybenzenesaccharideorganic oxideacetaloxaneorganoheterocyclic compoundalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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