| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:58 UTC |
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| Update Date | 2025-03-25 00:59:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235560 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O6 |
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| Molecular Mass | 300.0634 |
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| SMILES | COc1ccc(C2OC(=O)c3cc(O)ccc3C2=O)cc1O |
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| InChI Key | LANKEJMTDDCDPH-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 heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-benzopyransalkyl aryl ethersanisolesaryl alkyl ketonescarboxylic acid estershydrocarbon derivativeslactonesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethercarboxylic acid derivativeketonelactoneorganic oxidearomatic heteropolycyclic compoundisochromaneorganoheterocyclic compoundbenzopyran1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid ester2-benzopyranhydrocarbon derivativephenoxy compoundorganooxygen compoundaryl ketone |
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