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Therefore, compound 3 was established as shown in Fig. 1 and given the trivial name irpexoate C. A molecular formula of C35H48O8 was assigned to compound 4 as determined by the -HRESIMS sodium adduct ion peak at m/z 619.3250 [M+Na]+ (calcd for C35H48O8Na, 619.3241).
Around thirty of the eighty unidentified compounds could still be assigned to compound class.
The higher weight assigned to compound D means that its inactivity is statistically more likely to result from value v1 than core c2.
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The ChEBI database also contains comments (COMMENTS table) that are assigned to compounds or features.
In the relatively limited, and better understood, dictionary of modern Chinese, however, strong probabilities can be assigned to compounds such as AB, BC or ABC.
For convenience, the original database IDs assigned to compounds have not been changed, so that they can be used to link to the corresponding data in the source databases.
First, C-PCB-169 was assigned to compounds eluting between 0 to 1560 s (first dimensional GC: D) and 0 to 3.5 s (second dimensional GC: D) and BDE-77 to compounds eluting between 1560.1 to 2600 s (D) and 0 to 3.5 s (D).
Other names are captured as the name used to refer to a compound in a specific publication, as well as names assigned to the compound by SciFinder [28] if applicable. Figure 1 Simplified layout of the SANCDB database schema.
Each compound was docked to the protein complex binding pocket, and a score from the docking was assigned to each compound according to the weighed component of the ICM scoring function (see below).
These are source-dependent identifiers (e.g., brand names, generic names), which are usually assigned to the compound at the point of registration.
These are source-dependent identifiers which are usually assigned to the compound at the point of registration in a chemical database [13].
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CEO of Professional Science Editing for Scientists @ prosciediting.com