| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:16 UTC |
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| Update Date | 2025-03-21 18:37:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00118281 |
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| Frequency | 22.1 |
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| Structure | |
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| Chemical Formula | C11H16O3 |
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| Molecular Mass | 196.1099 |
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| SMILES | OCC(O)C(CO)Cc1ccccc1 |
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| InChI Key | CAUOBMYAGJXTNH-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesprimary alcoholssecondary alcohols |
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| Substituents | alcoholaromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary alcoholorganooxygen compound |
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