| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:03 UTC |
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| Update Date | 2025-03-25 00:59:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235745 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C27H30O12 |
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| Molecular Mass | 546.1737 |
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| SMILES | COc1cc(C=CC(=O)OCC2OC(Oc3cc(CC4CCC(=O)O4)ccc3O)C(O)C(O)C2O)ccc1O |
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| InChI Key | NLJNWJUYXZLAEA-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 compoundsdicarboxylic acids and derivativesenoate estersfatty acid estersgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetaloxaneorganoheterocyclic compoundenoate esteralcoholtetrahydrofuranmethoxybenzenegamma butyrolactonehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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