| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:35 UTC |
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| Update Date | 2025-03-25 00:49:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177579 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O7 |
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| Molecular Mass | 334.1053 |
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| SMILES | COc1cc(C(O)C2COC(c3ccc(O)c(O)c3)O2)ccc1O |
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| InChI Key | YGCCSZYYBJMFFZ-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 | 1,3-dioxolanes1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietymeta-dioxolaneetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneoxacycleorganic oxygen compoundacetalanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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