| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:47 UTC |
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| Update Date | 2025-03-25 00:56:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219351 |
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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(C(O)C2(C)CCCO2)ccc1O |
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| InChI Key | MOGPVYCUXYMJGE-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsdialkyl ethershydrocarbon derivativesmethoxybenzenesoxacyclic compoundsphenoxy compoundssecondary alcoholstetrahydrofurans |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenedialkyl etheroxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundorganoheterocyclic compoundorganooxygen compound |
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