6434207 -OEChem-05102423502D 130131 0 1 0 0 0 0 0999 V2000 15.5552 -3.5347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4613 -3.0208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.4613 -3.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4613 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9646 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9646 -2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4680 -1.3003 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.5552 -1.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9580 -3.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4679 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9713 -0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9713 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4746 0.4201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7953 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9713 -0.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4746 0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9779 1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9779 1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9779 1.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4813 2.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4813 2.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9846 3.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3513 -3.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0431 -3.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0722 -2.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6704 -1.3955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0746 -1.5504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3828 -1.9463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8546 -2.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5464 -2.3787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8480 -1.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9489 -0.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1506 -0.9956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4198 -4.1967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2659 -4.4269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4961 -3.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3579 -1.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0497 -1.5185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0813 0.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3895 -0.2258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8613 -1.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5531 -0.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8546 0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5094 -0.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6634 0.1057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4332 -0.7403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3646 -0.1939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0564 0.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0879 1.8905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3961 1.4947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5161 1.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6700 1.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4398 0.9802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1753 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1753 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4153 -4.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8679 0.6664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5597 1.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3732 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7933 2.6763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4789 1.5168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.1012 2.1344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.4836 2.7567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5227 3.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6767 3.5467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.4465 2.7006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 2.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 3.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 23 1 0 0 0 0 2 33 1 0 0 0 0 3 33 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 6 10 1 0 0 0 0 6 53 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 55 1 0 0 0 0 7 56 1 0 0 0 0 8 9 1 0 0 0 0 8 57 1 0 0 0 0 8 58 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 10 60 1 0 0 0 0 10 61 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 62 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 15 1 0 0 0 0 13 65 1 0 0 0 0 13 66 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 67 1 0 0 0 0 15 68 1 0 0 0 0 16 17 1 0 0 0 0 16 69 1 0 0 0 0 16 70 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 17 71 1 0 0 0 0 18 23 2 0 0 0 0 18 26 1 0 0 0 0 19 72 1 0 0 0 0 19 73 1 0 0 0 0 19 74 1 0 0 0 0 20 22 2 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 21 75 1 0 0 0 0 21 76 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 24 28 1 0 0 0 0 24 77 1 0 0 0 0 24 78 1 0 0 0 0 25 79 1 0 0 0 0 25 80 1 0 0 0 0 25 81 1 0 0 0 0 26 82 1 0 0 0 0 26 83 1 0 0 0 0 26 84 1 0 0 0 0 27 85 1 0 0 0 0 27 86 1 0 0 0 0 27 87 1 0 0 0 0 28 30 1 0 0 0 0 28 88 1 0 0 0 0 28 89 1 0 0 0 0 29 90 1 0 0 0 0 29 91 1 0 0 0 0 29 92 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 93 1 0 0 0 0 31 94 1 0 0 0 0 31 95 1 0 0 0 0 31 96 1 0 0 0 0 32 97 1 0 0 0 0 32 98 1 0 0 0 0 32 99 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34100 1 0 0 0 0 34101 1 0 0 0 0 35 36 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 36 37 1 0 0 0 0 36104 1 0 0 0 0 36105 1 0 0 0 0 37 38 1 0 0 0 0 37106 1 0 0 0 0 37107 1 0 0 0 0 38 39 1 0 0 0 0 38108 1 0 0 0 0 38109 1 0 0 0 0 39 40 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 40 41 1 0 0 0 0 40112 1 0 0 0 0 40113 1 0 0 0 0 41 42 2 0 0 0 0 41114 1 0 0 0 0 42 43 1 0 0 0 0 42115 1 0 0 0 0 43 44 1 0 0 0 0 43116 1 0 0 0 0 43117 1 0 0 0 0 44 48 2 0 0 0 0 44118 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45119 1 0 0 0 0 45120 1 0 0 0 0 46 48 1 0 0 0 0 46121 1 0 0 0 0 46122 1 0 0 0 0 47 49 1 0 0 0 0 47123 1 0 0 0 0 47124 1 0 0 0 0 48125 1 0 0 0 0 49 50 1 0 0 0 0 49126 1 0 0 0 0 49127 1 0 0 0 0 50128 1 0 0 0 0 50129 1 0 0 0 0 50130 1 0 0 0 0 M END > 6434207 > 1 > 921 > 3 > 0 > 28 > AAADcfB8MAAAAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAGgAAAAAADUSAmAACDoAABACIAiDSCAACCAAgIAAIiAEECIgMJjKEMRqCOiCkwBEIqAfIyPCOwQADAAAYAACCAAYAADAAAAAAAAAAAA== > [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] (9Z,12Z)-octadeca-9,12-dienoate > (9Z,12Z)-octadeca-9,12-dienoic acid [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl] ester > [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] (9Z,12Z)-octadeca-9,12-dienoate > [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] (9Z,12Z)-octadeca-9,12-dienoate > [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] (9Z,12Z)-octadeca-9,12-dienoate > (9Z,12Z)-octadeca-9,12-dienoic acid [2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl] ester > InChI=1S/C47H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-44(48)49-45-40(6)41(7)46-43(42(45)8)34-36-47(9,50-46)35-27-32-39(5)31-26-30-38(4)29-25-28-37(2)3/h14-15,17-18,37-39H,10-13,16,19-36H2,1-9H3/b15-14-,18-17- > OFUHPGMOWVHNPN-NFYLBXPESA-N > 17.6 > 692.61074641 > C47H80O3 > 693.1 > CCCCCC=CCC=CCCCCCCCC(=O)OC1=C(C2=C(C(=C1C)C)OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C > CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC1=C(C2=C(C(=C1C)C)OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C > 35.5 > 692.61074641 > 0 > 50 > 0 > 3 > 2 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 11 18 8 14 20 8 17 25 3 18 23 8 20 22 8 22 23 8 4 12 3 9 19 3 $$$$