| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:00 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 | DMID02201299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H17O9+ |
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| Molecular Mass | 413.0867 |
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| SMILES | COc1ccc(C2CC(=O)c3c(O)cc(-c4cc(O)c(O)c(O)c4)[o+]c3O2)cc1O |
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| InChI Key | VEWPQYAXFZTWKH-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | diarylheptanoids |
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| Subclass | linear diarylheptanoids |
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| Direct Parent | linear diarylheptanoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic cationsorganic oxidesoxacyclic compoundsphenoxy compoundspyrogallols and derivativesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidearomatic heteropolycyclic compoundorganic cationorganoheterocyclic compoundpyrogallol derivativebenzenetriolheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundanisolephenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidphenoxy compoundorganooxygen compoundaryl ketone |
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