| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:21:37 UTC |
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| Update Date | 2025-03-21 18:37:09 UTC |
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| HMDB ID | HMDB0303764 |
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| Metabolite Identification |
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| DeepMet ID | DMID00114266 |
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| Name | 4'-O-Glucopyranosylsinapic acid |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C17H22O10 |
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| Molecular Mass | 386.1213 |
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| SMILES | COc1cc(C=CC(=O)O)cc(OC)c1OC1OC(CO)C(O)C(O)C1O |
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| InChI Key | KKLWTTVTWMTNBP-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 | cinnamic acids and derivatives |
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| Subclass | cinnamic acids and derivatives |
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| Direct Parent | cinnamic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdimethoxybenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compoundmonosaccharidealkyl aryl ethercarboxylic acid derivativedimethoxybenzenecinnamic acid or derivativessaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolesecondary alcoholhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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