| 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 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201355 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22O9 |
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| Molecular Mass | 346.1264 |
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| SMILES | COc1cc(CO)c(O)cc1OC1C(CO)OC(CO)C(O)C1O |
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| InChI Key | ABUNHMPVMGFACJ-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 benzenoids4-alkoxyphenolsalkyl aryl ethersanisolesaromatic alcoholsbenzyl alcoholsdialkyl ethershydrocarbon derivativesmethoxybenzenesmonosaccharidesoxacyclic compoundsoxanesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundmethoxyphenol1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkyl aryl etherdialkyl ethersaccharideoxaneprimary alcoholorganoheterocyclic compoundalcohol4-alkoxyphenolbenzyl alcoholmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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