| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:45 UTC |
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| Update Date | 2025-03-25 00:53:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H21O8+ |
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| Molecular Mass | 413.1231 |
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| SMILES | COc1ccc(C2Oc3[o+]c(-c4ccc(O)c(O)c4)c(OC)cc3CC2O)cc1O |
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| InChI Key | VNZBTFKODGNKAM-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 ethersanisolesheteroaromatic compoundshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic cationsoxacyclic compoundsphenoxy compoundssecondary alcohols |
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| Substituents | alcoholphenol ethermonocyclic benzene moietyetherheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenol1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzeneoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundanisolesecondary alcoholphenollinear 1,7-diphenylheptane skeletonhydrocarbon derivativebenzenoidorganic cationphenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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