| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:22 UTC |
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| Update Date | 2025-03-21 17:58:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011667 |
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| Frequency | 394.9 |
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| Structure | |
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| Chemical Formula | C11H17NO4 |
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| Molecular Mass | 227.1158 |
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| SMILES | CNCC(O)c1cc(OC)c(O)c(OC)c1 |
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| InChI Key | ZKGDBJAHIIXDDW-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 homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholsdialkylaminesdimethoxybenzeneshydrocarbon derivativesorganopnictogen compoundsphenoxy compoundssecondary alcohols |
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| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietyethermethoxyphenolalkyl aryl etherdimethoxybenzeneorganonitrogen compoundorganopnictogen compoundalcoholsecondary aliphatic aminesecondary aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundm-dimethoxybenzeneanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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