| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:55 UTC |
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| Update Date | 2025-03-21 18:01:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031131 |
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| Frequency | 118.7 |
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| Structure | |
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| Chemical Formula | C13H20O2 |
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| Molecular Mass | 208.1463 |
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| SMILES | CC(C)(C)c1cc(C(C)(C)O)ccc1O |
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| InChI Key | CDRCHDZKFBLWNL-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaromatic alcoholshydrocarbon derivativestertiary alcohols |
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| Substituents | aromatic alcoholalcohol1-hydroxy-2-unsubstituted benzenoidphenylpropanearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compound |
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