Mrv1572004261606402D 82 81 0 0 1 0 999 V2000 2.7610 -7.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9715 9.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5725 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 -7.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 8.6955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1231 5.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0342 -7.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0464 8.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2992 5.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 -6.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6719 7.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8498 4.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3075 -6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1213 6.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0260 4.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7569 -5.7040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7468 5.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 4.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5807 -5.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1962 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7527 4.1551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 -5.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8217 4.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3034 3.4633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6556 -4.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9978 4.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4795 3.5065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 -3.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6234 3.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0301 2.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7305 -2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7995 3.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2062 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4250 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7569 2.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5322 -2.1149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6011 2.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -2.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2266 2.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4836 1.5174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 -2.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4028 2.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4351 -2.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0283 1.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2104 0.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9857 -3.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2044 1.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 0.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -3.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7873 -2.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1132 0.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2349 -1.8122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -1.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6094 -1.0771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9635 -2.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6316 -0.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -3.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -0.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -1.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8077 -0.2988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3824 -4.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9552 -6.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8318 -4.2770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5485 5.0632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 4.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9289 -3.6716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0727 2.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 2.0795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -3.5419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9815 -1.4230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -3.4987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 -1.9852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 -1.7690 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 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 2 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 2 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 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 57 54 1 0 0 0 0 60 58 1 0 0 0 0 60 59 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 57 1 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 63 2 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 68 59 1 0 0 0 0 68 62 1 0 0 0 0 60 69 1 6 0 0 0 69 63 1 0 0 0 0 70 16 1 0 0 0 0 71 19 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 78 34 1 0 0 0 0 79 37 1 0 0 0 0 80 43 1 0 0 0 0 81 46 1 0 0 0 0 60 82 1 6 0 0 0 M END > CHEM035969 > chemdb > [H]\C(CCCCCCCC)=C(\[H])CCCCCCCCCC(=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)CCCCCCCCC\C([H])=C(/[H])CCCCCCCC > InChI=1S/C63H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25-30,34,37,43,46,60H,4-15,17-18,20-24,31-33,35-36,38-42,44-45,47-59H2,1-3H3/b19-16+,28-25+,29-26+,30-27+,37-34+,46-43+/t60-/m0/s1 > GGNMBNAJWKYLBB-DVDLIDGBSA-N > C63H110O6 > 963.567 > 962.830241262 > 3 > 179 > 126.72072128747018 > 0 > 0 > 0 > 0 > (2R)-2,3-bis[(11E)-icos-11-enoyloxy]propyl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate > 10.88 > 22.08744172433333 > -8.18 > 0 > 0 > 0 > -6.56590758366778 > 78.9 > 303.2018999999999 > 56 > 0 > 6.39e-06 g/l > (2R)-2,3-bis[(11E)-icos-11-enoyloxy]propyl (5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoate > 0 > TG(20:1(11Z)/20:1(11Z)/20:4(5Z,8Z,11Z,14Z))[iso3] $$$$