| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:45 UTC |
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| Update Date | 2025-03-25 00:56:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219292 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H18O4 |
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| Molecular Mass | 238.1205 |
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| SMILES | COc1cc(C2(O)CCC(O)CC2)ccc1O |
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| InChI Key | PDZPBKQHUDQGAD-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 | cyclohexylphenols |
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| Direct Parent | cyclohexylphenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolescyclic alcohols and derivativescyclohexanolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsphenoxy compoundstertiary alcohols |
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| Substituents | alcoholcyclohexylphenolphenol etherethercyclohexanol1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcyclic alcoholalkyl aryl ethermethoxybenzenearomatic homomonocyclic compoundtertiary alcoholorganic oxygen compoundanisolesecondary alcoholphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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