## 3 Results
### Non-Targeted LC-QTOF-MS Based Metabolomics Data
sativa_ leaf extract obtained from legal cultivation from Clever Leaves, via LC–QTOF MS/MS. In blue: electrospray negative ionization mode; in orange: electrospray switching polarity mode; in gray, electrospray positive ionization mode; in yellow, electrospray switching polarity mode. \begin{table}
\begin{tabular}{c c c c c c c c c} \hline \hline
**Compound** & **Formula** & **Mass** & \begin{tabular}{c} **RT** \\ **(min)** \\ \end{tabular} & \begin{tabular}{c} **Mass** \\ **Error** \\ **(ppm)** \\ \end{tabular} & **Adduct** & **DFT** & \
\begin{tabular}{c} **ID** \\ **Confidence** \({}^{\text{a}}\) \\ \end{tabular} &
\begin{tabular}{c} **Area** \\ **(\%)\({}^{\text{b}}\)** \\ \end{tabular} \\ \hline Geranyl benzoate & C\({}_{17}\)H\({}_{22}\)O\({}_{2}\) & 258.1620 & 16.49 & 6 & [M+H]\({}^{*}\) & ESI + & Level 3 & 0.33 \\ \hline Hydroxy- Caroten-3\({}^{\prime}\)-one & C\({}_{40}\)H\({}_{53}\)O & 550.4175 & 16.71 & 9 & [M+Na]\({}^{*}\) & ESI + & Level 3 & 0.73 \\ \hline Trimethyl-pentadecatrien-2-one & C\({}_{18}\)H\({}_{30}\)O & 262.2297 & 17.16 & 6 & [M+H]\({}^{*}\) & ESI + & Level 2 & 0.82 \\ \hline Grifolin & C\({}_{22}\)H\({}_{32}\)O\({}_{2}\) & 328.2402 & 17.66 & 3 & [M-H]\({}^{-}\) & ESI \(-\) & Level 3 & 0.32 \\ \hline \multicolumn{8}{c}{_Pynzoles_} \\ \hline Glyceryl lactopalmitate & C\({}_{20}\)H\({}_{16}\)N\({}_{6}\)O\({}_{5}\)S & 404.1055 & 16.23 & 8 & [M+HCOOH- \\  & & & & & & & \\ \hline \multicolumn{8}{c}{_Steroids and steroid derivatives_} \\ \hline Pregnadienedione & C\({}_{21}\)H\({}_{28}\)O\({}_{2}\) & 312.2089 & 16.48 & 0 & [M-H]\({}^{-}\) & ESI \(-\) & Level 3 & 2.24 \\ \hline Neriantogenin & C\({}_{23}\)H\({}_{20}\)O\({}_{4}\) & 372.2301 & 17.66 & 2 & [M-H]\({}^{-}\) & ESI \(-\) & Level 3 & 2.89 \\ \hline \multicolumn{8}{c}{_Sterol Lipids_} \\ \hline Rhodexin A & C\({}_{29}\)H\({}_{44}\)O\({}_{9}\) & 536.2985 & 15.43 & 1 & [M+H]\({}^{*}\) & ESI + & Level 3 & 0.45 \\ \hline ST 27:0/07 & C\({}_{27}\)H\({}_{49}\)O\({}_{7}\) & 484.3400 & 16.77 & 4 & [M+H]\({}^{*}\) & ESI + & Level 3 & 0.35 \\ \hline Dihomocholic acid & C\({}_{26}\)H\({}_{44}\)O\({}_{5}\) & 436.3189 & 17.30 & 8 & [M+Na]\({}^{*}\) & ESI + & Level 3 & 0.53 \\ \hline \multicolumn{8}{c}{RT: retention time; LC: liquid chromatography; QTOF-MS: quadrupole time-of-flight mass spectrometer. \({}^{\text{a}}\): Identification confidence levels: Level 1: Confirmed structure, Level 2: Probable structure, Level 3: Tentative candidates(s), Level 4: Unequivocal molecular formula, Level 5: Exact mass. \({}^{\text{b}}\): The data obtained from the deconvolution and integration were filtered by area by calculating, total area for the sample and then area of each molecular feature.} \\ \hline \hline \end{tabular}
\end{table} 
Table 3: _Cont._The molecules with the highest intensity in the abundance peaks were mostly cannabinoids (delta-9-THC, Cannabidiolic acid, Cannabichromene), and terpenoids (Geranylhydroquinone). However, high-intensity peaks were found for coumarins (clausarinol), phenylflavonoids (cannflavin A), and steroids (pregna-4,9(11)-diene-3,20-dione, Neriantogenin) (Table 3). Prenol lipids and glycerophospholipids were identified as the subgroups contributing to the greatest diversity of metabolites in the sample. The metabolic profile of the sample is illustrated in Supplementary Material Figure S3. The main precursors in their biosynthesis were identified and integrated into the reconstruction (Table 4) and will be key to studying and understand the metabolic transition from primary to secondary metabolism and the relationship between chemical synergy and _C. sativa_ valuable characteristics. Taking advantage of the reconstruction, it is possible to study the biosynthesis of various value-added compounds. From here, various approaches such as bio-organic synthesis can be used to obtain these valuable compounds in a more economical way.