| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:54 UTC |
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| Update Date | 2025-03-25 00:50:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180573 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18O4 |
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| Molecular Mass | 226.1205 |
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| SMILES | COc1ccc(C(CO)C(C)O)cc1OC |
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| InChI Key | AFDVFWNJMPCKRU-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 | benzene and substituted derivatives |
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| Subclass | methoxybenzenes |
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| Direct Parent | dimethoxybenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesphenoxy compoundsphenylpropanesprimary alcoholssecondary alcohols |
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| Substituents | alcoholphenol etheretheralkyl aryl etherphenylpropanearomatic homomonocyclic compounddimethoxybenzeneorganic oxygen compoundanisoleo-dimethoxybenzenesecondary alcoholhydrocarbon derivativephenoxy compoundprimary alcoholorganooxygen compound |
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