| 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 | DMID02177584 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H14O7 |
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| Molecular Mass | 282.074 |
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| SMILES | COc1cc(C(O)C2COC(=O)C(O)=C2O)ccc1O |
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| InChI Key | HGFYZQGBKMBWIV-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 benzenoidsalkyl aryl ethersanisolesaromatic alcoholscarbonyl compoundsdihydropyranonesenoate estershydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholsvinylogous acids |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compounddihydropyranone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativelactonealpha,beta-unsaturated carboxylic esterorganic oxidepyranoneorganoheterocyclic compoundenoate esteralcoholmethoxybenzeneoxacyclevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundanisolepyrancarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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