| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:51 UTC |
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| Update Date | 2025-03-25 00:56:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219511 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H26O12 |
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| Molecular Mass | 566.1424 |
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| SMILES | COc1cc(C=CC(=O)OCC2OC(Oc3ccc4c(c3)oc(=O)c3cc(O)ccc34)C(O)C(O)C2O)ccc1O |
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| InChI Key | MJCHJGAMFFSKOH-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 heteropolycyclic compounds |
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| Alternative Parents | 1-benzopyrans1-hydroxy-2-unsubstituted benzenoids2-benzopyransacetalsalkyl aryl ethersanisolescarbonyl compoundscoumarins and derivativesenoate estersfatty acid estersheteroaromatic compoundshydrocarbon derivativesisocoumarins and derivativeslactonesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyranones and derivativessecondary alcohols |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic estersaccharideorganic oxideacetalaromatic heteropolycyclic compoundpyranoneoxaneorganoheterocyclic compoundenoate esteralcoholbenzopyranheteroaromatic compoundisocoumarinmethoxybenzenecoumarinhydroxycinnamic acidoxacyclefatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolecarboxylic acid ester2-benzopyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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