| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:44 UTC |
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| Update Date | 2025-03-25 01:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248777 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C29H26O14 |
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| Molecular Mass | 598.1323 |
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| SMILES | COc1ccc(C2CC(=O)c3c(cc(O)c(-c4ccc(O)cc4)c(OC4OC(C(=O)O)C(O)C(O)C4O)c3=O)O2)cc1O |
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| InChI Key | CWNWJUSGFMWBHV-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 | diarylheptanoids |
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| Subclass | linear diarylheptanoids |
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| Direct Parent | linear diarylheptanoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesaryl alkyl ketonesbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesmonosaccharideso-glucuronidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundspyran carboxylic acidssecondary alcoholstroponesvinylogous esters |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglucuronic acid or derivativeso-glucuronide1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethercarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidsaccharideorganic oxideacetalaromatic heteropolycyclic compoundoxaneorganoheterocyclic compoundalcoholtroponepyran carboxylic acid or derivativesvinylogous esterhydroxy acid1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundpyrananisolesecondary alcoholphenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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