LMST01020094 LIPID_MAPS_STRUCTURE_DATABASE 52 55 0 0 0 999 V2000 4.9411 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 -2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 -2.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8702 -2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7993 -2.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 -2.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7993 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8702 -1.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7993 0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6575 0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6575 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5157 -0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5157 0.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5868 0.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6575 1.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8702 -0.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5868 1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7131 2.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3301 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0732 1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8165 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5598 1.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3031 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5598 1.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1883 1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5868 2.6990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3475 -2.6765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8149 2.8295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7285 -0.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6575 -1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 -2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4893 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 -1.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5603 -2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3688 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 -2.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0849 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9606 -2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8364 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7121 -2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5878 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4635 -2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3393 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2150 -2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0907 -2.6765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9664 -2.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 20 1 0 0 0 20 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 1 10 1 0 0 0 5 10 1 0 0 0 9 10 1 0 0 0 8 14 1 0 0 0 13 17 1 0 0 0 13 18 1 1 0 0 10 19 1 1 0 0 20 21 1 6 0 0 17 28 1 6 0 0 20 29 1 1 0 0 3 30 1 1 0 0 24 31 1 6 0 0 8 32 1 1 0 0 9 33 1 6 0 0 14 34 1 6 0 0 30 35 1 0 0 0 35 36 1 0 0 0 35 37 2 0 0 0 36 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 51 52 1 0 0 0 M END > LMST01020094 > Brassicasteryl-16:0 > Campest-5,22E-dien-3beta-yl-hexadecanoate > C45H78O2 > 650.60 > Sterol Lipids [ST] > Sterols [ST01] > Steryl esters [ST0102] > - > > JRHOHGAECXXOMB-KJGLUFLFSA-N > InChI=1S/C45H78O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-43(46)47-38-29-31-44(6)37(33-38)25-26-39-41-28-27-40(45(41,7)32-30-42(39)44)36(5)24-23-35(4)34(2)3/h23-25,34-36,38-42H,8-22,26-33H2,1-7H3/b24-23+/t35-,36+,38-,39-,40+,41-,42-,44-,45+/m0/s1 > C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](OC(=O)CCCCCCCCCCCCCCCC)C1 > - > - > - > - > - > - > 134812576 > - > - > - > - > - > 33090 > 26718186 $$$$