| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:26 UTC |
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| Update Date | 2025-03-21 18:28:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072802 |
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| Frequency | 41.0 |
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| Structure | |
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| Chemical Formula | C12H18O2 |
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| Molecular Mass | 194.1307 |
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| SMILES | CC(CO)C(CO)Cc1ccccc1 |
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| InChI Key | AGMKVMSPZYVQHJ-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 alcohols |
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| Substituents | alcoholaromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxygen compoundhydrocarbon derivativeprimary alcoholorganooxygen compound |
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