| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:42 UTC |
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| Update Date | 2025-03-25 00:50:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180109 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H30O14 |
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| Molecular Mass | 530.1636 |
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| SMILES | COc1cc(C=CC(=O)OC2CC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)ccc1O |
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| InChI Key | DDWCFTDZIQIZNR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acyl glycosides |
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| Direct Parent | fatty acyl glycosides of mono- and disaccharides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidscyclitols and derivativescyclohexanolsdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativeshydroxycinnamic acidsmethoxybenzenesmethoxyphenolsmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcohols |
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| Substituents | fatty acyl glycoside of mono- or disaccharidephenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativehydroxycinnamic acid or derivativesalpha,beta-unsaturated carboxylic estercinnamic acid or derivativessaccharideorganic oxideacetaloxaneprimary alcoholorganoheterocyclic compoundenoate esteralcoholcyclohexanolcyclitol or derivativescyclic alcoholmethoxybenzenehydroxycinnamic acidoxacyclefatty acid esterorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholdicarboxylic acid or derivativesphenolhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compound |
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