| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:02 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201354 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H30O12 |
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| Molecular Mass | 462.1737 |
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| SMILES | COc1cc(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)ccc1O |
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| InChI Key | XQIQIGCPLZTYNN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | methoxyphenols |
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| Direct Parent | methoxyphenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetalsalkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesmonosaccharidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl ethersaccharideacetaloxaneprimary alcoholorganoheterocyclic compoundalcoholmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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