HMDB0294428 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(18R)/0:0/10:0) 95 94 0 0 0 0 0 0 0 0999 V2000 -12.4771 -2.2920 -0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0649 -0.8497 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8765 -0.6297 1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4078 0.7066 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0682 1.2164 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2416 1.1915 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6213 -0.1133 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8584 0.0052 -1.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7460 0.9900 -1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6790 0.6723 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6836 -0.4183 0.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6916 1.5933 -0.3366 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 1.4519 0.5221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6748 0.3809 0.0942 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2303 -0.8848 0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 0.2528 1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6047 -0.6783 0.5891 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0838 -0.4844 -0.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.5667 -1.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -1.4766 -1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2526 -1.7175 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 -0.5562 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5448 0.5471 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 1.7488 0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 2.1964 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9107 3.3284 -0.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1293 3.3786 -1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9478 2.3502 -1.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1762 2.1837 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6625 1.1357 -0.6208 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0271 -0.1930 -0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7208 -0.7234 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2191 -1.8246 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1476 -2.7165 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4248 -2.8883 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1602 -1.6190 1.4476 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2864 -1.9492 2.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6917 -1.0345 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4334 0.2389 0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7479 -2.9322 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5101 -2.4975 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4790 -2.4045 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0409 -0.2516 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2953 -0.4602 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8582 -0.8702 1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1558 -1.4093 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6455 0.7640 2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1892 1.4999 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4187 0.6995 2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0851 2.2958 1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7623 1.6607 -0.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3725 1.9094 0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3015 -0.9557 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8497 -0.4012 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4052 -0.9869 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5897 0.2418 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 2.0294 -1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2775 1.0292 -2.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0525 1.1793 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 2.4485 0.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2646 0.6804 -0.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6616 -1.4411 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0291 1.2618 1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -0.0278 2.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4692 -2.4465 -1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2573 -1.3061 -2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 -2.5562 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.1815 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9104 -1.0014 0.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7814 -0.2694 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1112 0.3441 1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9948 2.5333 0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0873 2.6348 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 1.4315 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 4.2555 -0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 4.3441 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2436 2.8354 -2.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 1.4171 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7935 3.1259 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6143 1.2076 -0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 -0.0822 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5985 -0.9188 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0492 -0.1292 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9316 -2.1441 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4636 -2.4281 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6992 -3.7617 0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1156 -3.3253 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0939 -3.5819 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6266 -0.8235 1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9177 -2.4568 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8282 -0.8082 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3659 -1.8047 -0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4619 0.1583 -0.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5270 0.4463 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9955 1.1442 -0.0531 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 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 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 13 59 1 0 13 60 1 0 14 61 1 6 15 62 1 0 16 63 1 0 16 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 1 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 39 95 1 0 M END