Table S3. Metabolites that level changed significantly during the metabolic shifts of Nigella seed development process. Trend of change is presented in brackets. Results were detected by SSSTP with confidence interval 95% and FDR correction,,,,,
PCA analysis and silouette clustering were used to identify the clusters of time points dataset. To identify the metabolites characterizing each time group SS-STIP was implemented and the results are presented in the table.  ,,,,,
,,Shift 2,,Shift 3,
8% false positive,,14% false positive,(+),6% false positive,(-)
Asn,(+),Ala,(+),beta__Ala,(-)
Homoserine,(-),beta__Ala,(+),Asn,(-)
Pro,(-),Asn,(+),GABA,(-)
Ser,(-),GABA,(+),Gln,(-)
Trp,(-),Gln,(+),Homoserine,(-)
Glycerate,(-),Ile,(+),Ile,(-)
Itaconate,(-),Leu,(+),Leu,(-)
Malate,(-),Ser,(+),Pro,(-)
Nicotinate,(-),Thr,(+),p_Glu,(-)
Phosphorate,(-),Trp,(+),Ser,(-)
Succinate,(-),Tyr,(+),Thr,(-)
Threonate,(-),Val,(+),Trp,(-)
Lyxonate,(-),Fumarate,(+),Tyr,(-)
Arabinose,(-),Glycerate,(+),Val,(-)
Cellobiose,(-),Itaconate,(+),Fumarate,(-)
Fructose,(-),Nicotinate,(+),Glycerate,(-)
Glucose,(-),Lyxonate,(-),Itaconate,(-)
Lyxose,(-),Raffinose,(+),Malate,(-)
Raffinose,(+),Glycerophosphoglycerol,(-),Nicotinate,(-)
Sucrose,(+),Dopamine,(-),Phosphorate,(-)
Xylose,(-),,,Succinate,(-)
Arabitol,(-),,,Threonate,(-)
Galactinol,(+),,,Lyxonate,(-)
Sorbitol,(-),,,Shikimate,(-)
Xylitol,(-),,,Arabinose,(-)
Inositol,(-),,,Cellobiose,(-)
Glycerophosphoglycerol,(+),,,Fructose,(-)
Dopamine,(+),,,Glucose,(-)
Uridine,(-),,,Lyxose,(-)
Benzoate_4_hydroxy,(-),,,Raffinose,(+)
Acetate_3_4_dihydroxyphenyl,(-),,,Xylose,(-)
,,,,Arabitol,(-)
,,,,Mannitol,(-)
,,,,Xylitol,(-)
,,,,Inositol,(-)
,,,,Glycerophosphoglycerol,(-)
,,,,Dopamine,(-)
,,,,Benzoate_4_amino,(-)
,,,,Benzoate_4_hydroxy,(+)
,,,,Glycerol_3_phosphate,(-)
,,,,Acetate_3_4_dihydroxyphenyl,(-)