| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:41 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177813 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O3 |
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| Molecular Mass | 208.1099 |
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| SMILES | Cc1ccc(C2CC(O)C(O)CO2)cc1 |
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| InChI Key | PJMSVTAATIDCAE-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diolsdialkyl ethershydrocarbon derivativesoxacyclic compoundsoxanessecondary alcohols |
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| Substituents | alcoholetheraromatic heteromonocyclic compounddialkyl etheroxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeoxanetolueneorganoheterocyclic compoundorganooxygen compound1,2-diol |
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