| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:53 UTC |
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| Update Date | 2025-03-25 00:53:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201047 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14O8 |
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| Molecular Mass | 310.0689 |
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| SMILES | COc1cc(CC(O)C(O)C2OC(=O)C(=O)C2=O)ccc1O |
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| InChI Key | WDLQPTQGDZMIPI-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescarboxylic acid esterscyclic ketonesfuranonesgamma butyrolactoneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic ketonealkyl aryl ethercarboxylic acid derivativeketonelactoneorganic oxideorganoheterocyclic compound1,2-diolalcoholtetrahydrofuranmethoxybenzenegamma butyrolactoneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid estersecondary alcoholhydrocarbon derivativephenoxy compound3-furanoneorganooxygen compound |
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