| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:17 UTC |
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| Update Date | 2025-03-21 18:34:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098764 |
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| Frequency | 27.8 |
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| Structure | |
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| Chemical Formula | C19H26O7 |
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| Molecular Mass | 366.1679 |
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| SMILES | COc1cc(C=CC(=O)OC2OC(C(O)O)C(C)C(C)C2C)ccc1O |
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| InChI Key | VZXIRFAOVQDCIU-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 | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolescarbonyl compoundscarbonyl hydratesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsoxanesphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarbonyl hydratearomatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativealpha,beta-unsaturated carboxylic esterorganic oxideacetaloxaneorganoheterocyclic compoundenoate estermethoxybenzenehydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esterphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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