| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:01 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153539 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H17O7+ |
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| Molecular Mass | 357.0969 |
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| SMILES | COc1ccc(C2Oc3cc4c(O)cc(O)cc4[o+]c3CC2O)cc1O |
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| InChI Key | IMLJSKZQBMKODG-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-benzopyrans1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesorganic cationsoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyether1-benzopyran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraromatic heteropolycyclic compoundorganic cationorganoheterocyclic compoundalcoholbenzopyranheteroaromatic compound1-hydroxy-4-unsubstituted benzenoidmethoxybenzeneoxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganooxygen compound |
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