Mrv1572004261606362D 74 73 0 0 1 0 999 V2000 2.6859 -7.7330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4682 7.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0957 4.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 -7.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1023 7.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6383 3.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 -7.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5597 6.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 4.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -6.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1938 5.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 3.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2473 -6.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6512 5.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 3.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -5.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2852 4.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 -5.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7426 3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 -5.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3767 2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6195 -4.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 -3.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -2.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 -2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5534 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 -2.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6985 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2411 -2.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 -2.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -3.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 -2.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -1.0783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6198 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -2.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4904 -3.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -1.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 -0.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -1.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -5.0395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 -6.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5659 3.7279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 3.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8341 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 -4.3529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -3.7719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4303 -3.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 -3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0518 -2.0290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -1.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 2 0 0 0 0 24 21 2 0 0 0 0 25 22 1 0 0 0 0 26 25 2 0 0 0 0 27 26 1 0 0 0 0 28 27 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 28 2 0 0 0 0 32 29 1 0 0 0 0 33 31 1 0 0 0 0 34 30 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 2 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 52 50 1 0 0 0 0 52 51 1 0 0 0 0 53 47 1 0 0 0 0 54 48 1 0 0 0 0 55 49 1 0 0 0 0 56 53 2 0 0 0 0 57 54 2 0 0 0 0 58 55 2 0 0 0 0 59 50 1 0 0 0 0 59 53 1 0 0 0 0 60 51 1 0 0 0 0 60 54 1 0 0 0 0 52 61 1 6 0 0 0 61 55 1 0 0 0 0 62 16 1 0 0 0 0 63 19 1 0 0 0 0 64 20 1 0 0 0 0 65 21 1 0 0 0 0 66 23 1 0 0 0 0 67 24 1 0 0 0 0 68 25 1 0 0 0 0 69 26 1 0 0 0 0 70 28 1 0 0 0 0 71 31 1 0 0 0 0 72 36 1 0 0 0 0 73 39 1 0 0 0 0 52 74 1 6 0 0 0 M END > CHEM035941 > chemdb > [H]\C(CCCCCC)=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)OC(=O)CCCCCCC\C([H])=C(/[H])CCCCCC > InChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h16,19-21,23-26,28,31,36,39,52H,4-15,17-18,22,27,29-30,32-35,37-38,40-51H2,1-3H3/b19-16+,23-20-,24-21+,26-25+,31-28+,39-36+/t52-/m1/s1 > SWYCMJAKZYLTJN-TXWAFILXSA-N > C55H94O6 > 851.351 > 850.705040747 > 3 > 155 > 110.16579219055984 > 0 > 0 > 0 > 0 > (2R)-2-[(9E)-hexadec-9-enoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate > 10.60 > 18.530892404333333 > -8.07 > 0 > 0 > 0 > -6.565907583667825 > 78.9 > 266.3939 > 48 > 0 > 7.24e-06 g/l > (2R)-2-[(9E)-hexadec-9-enoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate > 0 > TG(16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z))[iso3] $$$$