Table 1.

GC–MS analysis of the MEAIL

S. No	RT	Formula	Mass	Phyto chemical name	(%)	Chemical descriptors
						HBDC	HBAC
1	8.32	C4H5FN4O	144.109	Imidazole, 4-fluoro-5-hydroxyazomethyl-	3.466	2	5
2	13.27	C13H20O3	224.300	2-propenoic acid, 3-[5-acetyl-2,2- dimethylcyclopentyl], methyl ester,[1a(E),5a]-	1.742	0	4
3	14.52	C14H22O	206.329	1-oxaspiro [2,5] octane, 5,5-dimethyl-4-(3-methyl-1,3-butadienyl)-	1.143	0	2
4	16.2	C14H16N2O	228.295	2-formyl-5,7dimethyl-1,2,3,4-tetrahydropyrimido(3,4-a) indole.	3.109	0	2
5	17.03	C17H34O2	270.457	Pentadecanoic acid, 14-methyl-, methyl ester	2.787	0	2
6	17.72	C16H32O2	256.430	n-hexadecanoic acid	14.676	1	4
7	18.48	C19H34O	278.480	13-hexyloxacyclotridec10-en-2-one	3.341	0	2
8	18.8	C19H36O2	296.495	10-octadecenoic acid, methyl ester	1.712	0	2
9	19.02	C19H38O2	298.511	Heptadecanoic acid, 16-methyl-methyl ester	0.768	0	2
10	19.62	C18H36O2	284.484	Hexadecanoic acid, 14-methyl, methyl ester	1.667	0	2
11	20.6	C20H38O3	326.521	Nonadecanoic acid, 18-oxo, methyl ester	1.682	0	4
12	22.87	C23H39NO2	361.570	14-methylhexadecanoic acid, picolinyl ester	1.810	0	5
13	25.5	C21H40O4	356.547	9-octadecenoic acid [Z], 2-hydroxy-1-(hydroxymethyl) ethyl ester	0.857	2	6

The HBDC, HBAC are calculated for phytochemical profile computationally using Marvin sketch, a chemoinformatics tool

RT retention time, % percentage in the extract, HBDC hydrogen bond donor count, HBAC hydrogen bond acceptor count