HMDB0031115 RDKit 3D Glycerol 1,2-di-(9Z,12Z-octadecadienoate) 3-(9Z-octadecenoate) 163162 0 0 0 0 0 0 0 0999 V2000 5.8464 4.9655 3.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8199 6.0095 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0437 6.5594 2.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 5.4416 1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 5.9522 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 4.8782 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 4.8970 -2.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0069 3.8840 -3.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7113 3.1934 -3.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9113 3.2353 -4.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 2.5736 -4.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1864 1.7569 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1583 1.1601 -3.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 0.2993 -2.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8574 -0.8571 -2.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3697 -1.7801 -1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5873 -1.0881 -0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0338 -2.0184 1.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -2.3515 1.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1013 -2.5281 1.8867 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -3.4070 2.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2245 -3.5780 3.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 -4.4241 4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 -5.7170 4.5647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 -6.5515 5.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -6.1115 6.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7418 -7.8871 5.6483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -8.9297 4.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -8.6065 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4029 -8.4196 2.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3049 -8.1427 1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6878 -7.9200 0.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -7.6859 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 -7.4580 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3823 -6.3191 -1.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7556 -6.0618 -2.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3843 -4.8174 -1.7079 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 -3.6062 -2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0899 -2.3137 -1.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4792 -2.0256 -2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9816 -0.7107 -1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1303 0.4482 -1.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6763 1.7404 -1.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -4.1005 2.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 -3.2229 1.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.0505 2.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 -3.6539 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2620 -2.5314 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1839 -1.7125 0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 -0.5655 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 0.3232 -0.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8346 0.9829 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 1.9124 1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 2.5462 2.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 2.3239 2.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 2.9816 3.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6346 3.7410 2.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9452 3.8691 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 4.6423 0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8253 5.7557 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 6.8746 0.4322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4147 6.5784 0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2322 5.9291 -0.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0967 5.0189 4.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7544 5.1082 3.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 3.9446 3.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7987 5.5513 3.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8033 6.8190 4.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0294 7.0465 1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 7.2510 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5806 4.5764 1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8836 5.0700 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 6.4044 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4931 6.7806 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7346 4.0164 -1.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4840 5.7523 -2.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8030 3.1048 -3.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3158 4.3171 -4.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3479 2.6087 -2.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 3.8419 -5.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 3.3491 -4.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5442 1.8879 -5.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1867 2.2958 -2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9177 0.9064 -3.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9161 1.9512 -4.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 0.5632 -4.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7387 -0.1080 -3.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 0.9500 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7496 -1.4718 -3.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1896 -0.5195 -2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5879 -2.5804 -1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2944 -2.2845 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6252 -0.5813 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3233 -0.2675 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6132 -4.4116 2.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8758 -2.9793 3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 -2.5486 3.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1223 -3.8950 5.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4006 -4.5039 4.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7424 -8.2660 6.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8463 -7.8354 5.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 -9.1394 5.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 -9.8657 4.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6141 -7.7467 3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -9.5050 2.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -7.5876 3.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9677 -9.3514 2.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7172 -7.2215 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7642 -8.9740 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1282 -7.0724 1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2932 -8.8091 0.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -6.8334 -1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2058 -8.6082 -1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8174 -8.1877 -1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 -5.5844 -1.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4413 -6.9250 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7405 -5.9728 -3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4716 -4.9035 -0.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3809 -4.6884 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4738 -3.5261 -3.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5144 -3.8039 -1.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0453 -2.2819 -0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4071 -1.5083 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4837 -1.9716 -3.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1709 -2.8347 -1.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0326 -0.7010 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0151 -0.5119 -1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0837 0.3731 -1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0879 0.5485 -3.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1534 2.0492 -0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7836 1.6919 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5439 2.5741 -2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0383 -4.3260 -0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4592 -4.3139 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 -2.9733 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3815 -1.9146 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7218 -1.3394 1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0809 -2.3656 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4817 0.0473 0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3604 -1.0010 -1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -0.2556 -1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 1.1395 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 0.2763 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1261 1.6214 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 2.7437 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 1.4227 1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0996 3.2611 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 1.6025 1.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1165 2.2831 4.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1514 3.7152 3.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 4.2748 3.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 3.3625 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7787 3.8664 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7263 4.9763 1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 6.2120 -0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5091 5.3584 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 7.3268 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0546 7.6927 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 7.6052 0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4944 6.1295 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 6.4655 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5474 4.9171 0.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 5.7379 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 0 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 63163 1 0 M END