Structure #1 Mrv0541 02241222252D 50 53 0 0 0 0 999 V2000 14.6553 -7.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9409 -7.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6553 -8.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0843 -8.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7987 -8.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3698 -7.4265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0843 -6.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7987 -5.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2978 -7.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7828 -6.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3698 -6.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0843 -7.0140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0843 -7.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7987 -7.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5132 -7.0140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5132 -6.1890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5132 -5.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5132 -7.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7268 -5.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0123 -4.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1558 -5.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1558 -5.9341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8702 -4.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5833 -4.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2978 -5.1091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4412 -4.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4412 -3.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2978 -5.9341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0123 -5.5216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3698 -8.2515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3698 -9.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9409 -8.2515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2264 -8.6640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2264 -9.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9408 -9.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 -9.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9408 -10.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6553 -11.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6553 -11.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3698 -12.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3698 -13.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0842 -13.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0842 -14.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7987 -14.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5131 -14.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2276 -14.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9420 -14.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6565 -14.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3709 -14.4387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0854 -14.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 16 8 1 0 0 0 0 15 14 1 0 0 0 0 15 9 1 0 0 0 0 12 7 1 0 0 0 0 12 6 1 0 0 0 0 14 12 1 0 0 0 0 14 5 2 0 0 0 0 6 30 1 0 0 0 0 6 11 1 1 0 0 0 6 1 1 0 0 0 0 10 28 1 0 0 0 0 7 8 1 0 0 0 0 10 9 1 0 0 0 0 4 5 1 0 0 0 0 30 3 1 0 0 0 0 30 4 1 0 0 0 0 2 1 1 0 0 0 0 32 3 1 0 0 0 0 32 2 1 0 0 0 0 12 13 1 6 0 0 0 15 18 1 6 0 0 0 16 17 1 1 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 25 1 0 0 0 0 25 28 1 0 0 0 0 21 26 1 0 0 0 0 23 21 1 0 0 0 0 21 22 1 0 0 0 0 25 24 1 6 0 0 0 26 27 2 0 0 0 0 28 29 1 6 0 0 0 30 31 1 6 0 0 0 32 33 1 1 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 33 34 1 0 0 0 0 M END > YMDB00550 > YMDB > CCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@]([H])(CC=C3[C@]4([H])CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]4(C)CC[C@]23[H])C1 > InChI=1S/C44H74O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(45)46-37-28-30-43(6)36(32-37)24-25-38-40-27-26-39(44(40,7)31-29-41(38)43)35(5)23-22-34(4)33(2)3/h13-14,25,33,35-37,39-41H,4,8-12,15-24,26-32H2,1-3,5-7H3/b14-13-/t35-,36+,37+,39-,40+,41+,43+,44-/m1/s1 > SYZHHZICOBPDNN-ADJCQIKLSA-N > C44H74O2 > 635.0572 > 634.568881612 > 1 > 83.54539706680185 > 0 > 0 > 0 > 0 > (1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R)-6-methyl-5-methylideneheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-5-yl (9Z)-hexadec-9-enoate > 10.70 > 13.61139456166667 > -7.39 > 1 > 4 > 0 > -7.04152006517233 > 26.3 > 199.65059999999997 > 20 > 0 > 2.57e-05 g/l > episteryl palmitoleate > 0 > YMDB00550 > episteryl palmitoleate > 1-oleoyl-cholesterol; 18:1(9Z) Cholesterol ester; 3beta-Hydroxy-5-cholestene 3-oleate; 5-Cholesten-3b-ol 3-oleate; Cholest-5-en-3-beta-yl oleate; Cholest-5-en-3-ol (3b)-(Z)-9-octadecenoate; Cholest-5-en-3-ol (3b)-(Z)-9-octadecenoic acid; Cholest-5-en-3-ol (3beta)-, 9-octadecenoate, (Z)-; Cholest-5-en-3-yl (9Z)-9-octadecenoate; cholest-5-en-3-yl 9-octadecenoate; cholest-5-en-3b-yl; cholesterol 1-(9Z-octadecenoate; cholesterol 1-(9Z-octadecenoate); cholesterol 1-(9Z-octadecenoic acid; cholesterol 1-(9Z-octadecenoic acid); Cholesterol 3beta-oleate; Cholesterol Ester(18:1); Cholesterol Ester(18:1/0:0); Cholesterol Ester(18:1n9/0:0); Cholesterol Ester(18:1w9/0:0); Cholesterol, oleate; Cholesteroyl-oleate; Cholesteryl [9,10-3H]oleate; cholesteryl 1-oleoate; cholesteryl 1-oleoic acid; Cholesteryl cis-9-octadecenoate; Cholesteryl cis-9-octadecenoic acid; Cholesteryl oleate; Cholesteryl oleate-9,10-3H; Cholesteryl oleate-9,10-t2; Cholesteryl oleic ester; Cholesteryl-beta-D-glucoside; Cholesteryl-beta-delta-glucoside; Oleic acid cholesteryl ester; Oleoylcholesterol $$$$