| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:37 UTC |
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| Update Date | 2025-03-25 00:50:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179894 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H24N2O4 |
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| Molecular Mass | 320.1736 |
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| SMILES | COc1cc(CC(CO)C(CO)Cc2cn(C)cn2)ccc1O |
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| InChI Key | ITCVULXGVPDMDD-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmethoxybenzenesn-substituted imidazolesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsprimary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherimidazoleorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundazolen-substituted imidazolealcoholazacycleheteroaromatic compoundmethoxybenzeneorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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