| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:20 UTC |
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| Update Date | 2025-03-25 00:50:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179262 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13O7+ |
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| Molecular Mass | 305.0656 |
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| SMILES | COc1ccc(C2Oc3[o+]ccc(O)c3C(=O)C2O)cc1O |
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| InChI Key | WQTSWPPMBHXONU-UHFFFAOYSA-O |
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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 benzenoidsalkyl aryl ethersanisolesaryl alkyl ketonesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic cationsorganic oxidesoxacyclic compoundsphenoxy compoundssecondary alcoholsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketone1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherketoneorganic oxidearomatic heteropolycyclic compoundorganic cationorganoheterocyclic compoundalcoholheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacyclevinylogous acidorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compoundaryl ketone |
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