Mrv1572004261618072D 77 76 0 0 0 0 999 V2000 -5.2816 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -7.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 -6.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -6.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 7.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 -5.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 7.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 -5.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 7.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 5.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 -4.3757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 -3.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 5.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0078 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 -3.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 5.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 -2.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1395 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 -1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8644 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -1.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1499 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9961 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2816 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0065 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8526 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 2.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 4.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8631 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7092 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1487 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2803 3.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 7.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7223 8.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 9.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 6.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 6.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 5.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5684 7.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 5.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 5.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2934 3.4618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -3.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8539 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5789 5.5243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5671 -1.4882 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 2 0 0 0 0 11 8 2 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 1 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 2 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 7 1 0 0 0 0 65 8 1 0 0 0 0 66 10 1 0 0 0 0 67 11 1 0 0 0 0 68 16 1 0 0 0 0 69 17 1 0 0 0 0 70 19 1 0 0 0 0 71 20 1 0 0 0 0 72 25 1 0 0 0 0 73 26 1 0 0 0 0 74 27 1 0 0 0 0 75 28 1 0 0 0 0 76 29 1 0 0 0 0 77 30 1 0 0 0 0 M END > CHEM039722 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CC)OC(=O)CCCCCCC\C([H])=C(/[H])CCCCCCCC > InChI=1S/C57H96O6/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/h7-8,10-11,16-17,19-20,25-30,54H,4-6,9,12-15,18,21-24,31-53H2,1-3H3/b10-7+,11-8+,19-16+,20-17+,28-25+,29-26+,30-27+ > NVWCWIVBYYFJGP-CXHPSZJKSA-N > C57H96O6 > 877.389 > 876.720690811 > 3 > 159 > 112.91013703987012 > 0 > 0 > 0 > 0 > 2-[(9E)-octadec-9-enoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl (9E,12E,15E)-octadeca-9,12,15-trienoate > 10.51 > 19.058108077666667 > -8.21 > 0 > 0 > 0 > -6.5658679853667286 > 78.9 > 276.71250000000003 > 49 > 0 > 5.45e-06 g/l > 2-[(9E)-octadec-9-enoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propyl (9E,12E,15E)-octadeca-9,12,15-trienoate > 0 > TG(18:3(9Z,12Z,15Z)/18:1(9Z)/18:3(9Z,12Z,15Z))[iso3] $$$$