| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:34 UTC |
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| Update Date | 2025-03-21 17:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007449 |
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| Frequency | 678.1 |
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| Structure | |
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| Chemical Formula | C10H12O3 |
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| Molecular Mass | 180.0786 |
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| SMILES | COc1cc(CC(C)=O)ccc1O |
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| InChI Key | LFVCJQWZGDLHSD-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-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisoleshydrocarbon derivativesketonesmethoxybenzenesorganic oxidesphenoxy compoundsphenylpropanes |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzeneketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
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