| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:54 UTC |
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| Update Date | 2025-03-21 17:57:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005902 |
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| Frequency | 890.7 |
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| Structure | |
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| Chemical Formula | C17H22O11 |
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| Molecular Mass | 402.1162 |
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| SMILES | COc1cc(C=CC(=O)OC2OC(C(O)O)C(O)C(O)C2O)cc(OC)c1O |
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| InChI Key | CRUIBLAFSWSHEJ-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 | hydroxycinnamic acids and derivatives |
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| Direct Parent | hydroxycinnamic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl aryl ethersanisolescarbonyl compoundscarbonyl hydratesdimethoxybenzenesenoate estersfatty acid estershydrocarbon derivativesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compoundmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativedimethoxybenzenealpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholmethoxybenzenehydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundm-dimethoxybenzeneanisolecarboxylic acid estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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