| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:54 UTC |
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| Update Date | 2025-03-21 17:59:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00024069 |
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| Frequency | 162.3 |
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| Structure | |
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| Chemical Formula | C9H12O5 |
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| Molecular Mass | 200.0685 |
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| SMILES | COc1cc(C(O)CO)cc(O)c1O |
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| InChI Key | NTWBXPSKNKKCHW-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 | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholshydrocarbon derivativesmethoxybenzenesphenoxy compoundsprimary alcoholssecondary alcohols |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietyethermethoxyphenol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundprimary alcoholorganooxygen compound1,2-diol |
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