| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:03 UTC |
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| Update Date | 2025-03-25 00:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178634 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O2 |
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| Molecular Mass | 180.115 |
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| SMILES | Cc1cccc(CC(O)C(C)O)c1 |
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| InChI Key | USBZRVQRZDNYSI-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 | toluenes |
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| Direct Parent | toluenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1,2-diolshydrocarbon derivativessecondary alcohols |
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| Substituents | alcoholaromatic homomonocyclic compoundorganic oxygen compoundsecondary alcoholhydrocarbon derivativetolueneorganooxygen compound1,2-diol |
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