| Record Information |
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| Version | 1.0 |
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| Creation date | 2018-05-02 11:42:45 UTC |
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| Update date | 2018-05-04 14:27:59 UTC |
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| FoodComEx ID | PC001153 |
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| FoodDB Record | FDB029318 |
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| Chemical Information |
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| Name | 2-Hydroxyfluorene |
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| Description | 2-Hydroxyfluorene (2-OHF) is a metabolite of fluorene. Fluorene is one of the most abundant polycyclic aromatic hydrocarbons (PAHs) throughout the gas phase in the environment, especially in tobacco smoke condensate. 2-OHF is an effective biomarker for evaluating the exposure to PAHs from smoking. It has been found in urine [HMDB] |
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| CAS Number | 2443-58-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Fluorenol | hmdb | | 2-Hydroxy fluorene | hmdb | | 9H-Fluoren-2-ol | hmdb | | Fluoren-2-ol | hmdb |
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| Chemical Formula | C13H10O |
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| IUPAC name | 9H-fluoren-2-ol |
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| InChI Identifier | InChI=1S/C13H10O/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8,14H,7H2 |
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| InChI Key | ZDOIAPGLORMKTR-UHFFFAOYSA-N |
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| Isomeric SMILES | OC1=CC2=C(C=C1)C1=CC=CC=C1C2 |
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| Average Molecular Weight | 182.2179 |
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| Monoisotopic Molecular Weight | 182.073164942 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Fluorenes |
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| Sub Class | Not Available |
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| Direct Parent | Fluorenes |
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| Alternative Parents | |
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| Substituents | - Fluorene
- 1-hydroxy-2-unsubstituted benzenoid
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | 1 to 2 ml |
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| Delivery Time | 2 weeks |
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| Storage Form | liquid |
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| Storage Conditions | 4°C |
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| Stability | Not Available |
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| Purity | unknown |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Contact Name | Contact Institution | Contact Email |
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| Augustin Scalbert | International Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372 | scalberta@iarc.fr |
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| Commercial Vendors |
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| Toronto Research Chemicals | H942430 |
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