HMDB0113480 RDKit 3D PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z)) 118117 0 0 0 0 0 0 0 0999 V2000 12.0327 3.2478 -2.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7696 2.4066 -2.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0495 0.9927 -2.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7746 -0.0122 -1.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1753 0.1337 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0121 -0.4614 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6669 -1.4640 1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4515 -2.2417 1.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3868 -1.9843 0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1613 -1.6663 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6256 -1.5126 2.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0904 -0.1665 2.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8264 0.0495 2.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 -1.0011 2.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -0.7150 1.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3778 -1.4504 0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 -2.6971 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 -3.9340 0.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -3.9275 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 -3.0309 0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -2.6982 1.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -2.5218 -0.4537 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1474 -1.6811 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5276 -0.3751 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0076 0.3214 -0.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4437 1.5455 -0.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 2.2631 -1.8699 P 0 0 0 0 0 5 0 0 0 0 0 0 1.5681 2.5389 -1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 1.2218 -3.1663 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7967 3.7204 -2.0593 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 4.1648 -0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9285 5.4544 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1436 5.2886 -1.6817 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 5.0267 -3.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5147 0.4518 1.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2888 0.8544 2.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 0.4676 3.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3205 1.7108 3.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 0.7909 3.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -0.2971 3.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7038 0.2700 2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3672 -0.8176 1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2569 -0.1425 0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9711 -1.1619 -0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7984 -2.0633 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0614 -2.2753 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0808 -1.7287 -0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8763 -0.8568 -1.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2257 -1.4952 -3.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0560 -0.4363 -4.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3536 3.2807 -1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8615 2.7675 -2.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8714 4.2520 -2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0518 2.5965 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2437 2.8071 -3.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5047 0.7397 -3.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0126 -1.0355 -2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1032 0.0707 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 1.2887 -0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0152 -0.0146 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0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 24 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 25 83 1 0 25 84 1 0 29 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 34 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 50118 1 0 M END