Mrv1572004261618002D 73 72 0 0 0 0 999 V2000 0.5299 11.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6248 4.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 11.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1330 3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6772 10.5232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3135 3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4968 10.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8217 3.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 9.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0022 3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6607 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6442 9.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5104 2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 8.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6909 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 8.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1992 1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 2.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 9.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 2.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1028 9.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0518 2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 9.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2322 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4141 9.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9044 3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 3.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7419 9.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0849 3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 3.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5615 9.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7570 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 3.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8893 8.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9375 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2171 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7089 8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4457 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7089 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0367 7.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6262 3.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5284 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0036 6.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1510 5.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3314 5.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8562 7.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2984 4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0201 5.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3480 7.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7901 5.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6923 5.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1841 6.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4788 4.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 5.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 10.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8383 1.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4802 8.1574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3631 3.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 0.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 3.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9554 10.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8879 1.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4306 8.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5435 3.4257 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 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 2 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 24 1 0 0 0 0 28 25 2 0 0 0 0 29 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 33 30 1 0 0 0 0 34 31 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 1 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 50 47 1 0 0 0 0 51 48 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 52 1 0 0 0 0 61 55 1 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 63 54 1 0 0 0 0 63 57 1 0 0 0 0 64 16 1 0 0 0 0 65 17 1 0 0 0 0 66 19 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 24 1 0 0 0 0 70 25 1 0 0 0 0 71 26 1 0 0 0 0 72 28 1 0 0 0 0 73 29 1 0 0 0 0 M END > CHEM039698 > chemdb > [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-17,19-21,24-26,28-29,54H,4-15,18,22-23,27,30-53H2,1-3H3/b19-16+,20-17+,24-21+,28-25+,29-26+ > YJBUODNAHDVYLJ-BNWBZLRMSA-N > C57H100O6 > 881.421 > 880.75199094 > 3 > 163 > 114.87650329284743 > 0 > 0 > 0 > 0 > 2-[(11E)-octadec-11-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (9E,12E)-octadeca-9,12-dienoate > 10.73 > 19.781951391 > -8.15 > 0 > 0 > 0 > -6.565867985366706 > 78.9 > 274.47929999999997 > 51 > 0 > 6.27e-06 g/l > 2-[(11E)-octadec-11-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propyl (9E,12E)-octadeca-9,12-dienoate > 0 > TG(18:2(9Z,12Z)/18:1(11Z)/18:2(9Z,12Z))[iso3] $$$$