Mrv1652303302019502D 43 42 0 0 1 0 999 V2000 27.3493 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7730 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3493 -0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0637 0.0513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0637 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9164 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7782 1.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7782 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3454 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4927 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0599 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4927 3.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7743 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7782 3.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7782 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4888 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0637 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3493 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2033 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6348 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9177 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9203 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6322 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2059 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4914 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0612 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7769 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7756 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9190 5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6335 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9190 5.0013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0624 4.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4901 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2046 6.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0624 3.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4901 5.8263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3480 5.0013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2046 4.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6335 5.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 13 15 1 4 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 18 20 1 4 0 0 0 21 20 1 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 35 33 1 0 0 0 0 35 34 1 0 0 0 0 36 31 1 0 0 0 0 37 32 1 0 0 0 0 38 33 1 0 0 0 0 39 36 2 0 0 0 0 40 37 2 0 0 0 0 41 34 1 0 0 0 0 41 36 1 0 0 0 0 35 42 1 6 0 0 0 42 37 1 0 0 0 0 35 43 1 6 0 0 0 M END > CDB000908 > CDB > [H][C@](CO)(COC(=O)CCCCCCCC=CCC=CCCCCC)OC(=O)CCCCCCCCCCCCCCC > InChI=1S/C37H68O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,35,38H,3-10,12,14-16,19-34H2,1-2H3/t35-/m0/s1 > AOSFXHKYBDUOSU-DHUJRADRSA-N > C37H68O5 > 592.9328 > 592.506675286 > 3 > 110 > 75.97173566978377 > 0 > 1 > 0 > 0 > (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl octadeca-9,12-dienoate > 10.00 > 12.168387798666664 > -7.62 > 0 > 0 > 0 > 14.577784010572557 > -2.983477273775563 > 72.83 > 179.13410000000007 > 34 > 0 > 1.41e-05 g/l > (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl octadeca-9,12-dienoate > 0 > CDB000908 > DG(18:2(9Z,12Z)/16:0/0:0) $$$$