HMDB0292924 RDKit 3D CDP-DG(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/a-15:0) 149150 0 0 0 0 0 0 0 0999 V2000 -2.2087 -5.1365 -7.9178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -5.4573 -7.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 -5.5149 -5.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -4.7640 -4.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5029 -3.7347 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6773 -4.2339 -4.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3246 -3.5417 -3.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0498 -2.1778 -2.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8783 -2.0682 -1.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8677 -2.6508 -0.7589 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4734 -0.8223 -0.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7365 -0.5518 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3374 0.6676 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6385 1.0535 2.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2994 0.1000 3.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8921 1.0369 4.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7935 1.2735 4.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4352 0.6158 4.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6617 1.8348 4.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0542 1.9814 3.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9765 0.9739 1.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 0.8268 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7533 0.4999 3.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9122 -0.5004 3.6576 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 1.5063 3.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8733 1.2201 4.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9947 0.2295 4.4205 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7922 1.0229 3.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7888 0.2213 2.8257 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6723 1.0004 1.6361 P 0 0 0 0 0 5 0 0 0 0 0 0 4.6504 0.1784 0.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2866 1.1233 2.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1386 2.5354 1.2695 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 2.9507 -0.3498 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0875 3.0085 -1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3333 1.7674 -1.1394 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1312 4.4448 -0.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 5.4454 -1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3334 6.7180 -0.9935 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5479 7.0038 0.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8488 6.8545 0.6817 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0308 5.9146 1.7719 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3106 5.4284 1.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 4.4787 2.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5889 3.9965 3.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9271 2.9731 4.6402 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3620 4.4902 3.5391 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1069 5.4391 2.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9380 5.8923 2.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5795 6.2930 -0.4971 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8320 6.8817 -0.7294 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6462 6.5099 -1.6551 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0519 7.6388 -2.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5476 -0.9082 3.9324 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -2.2720 4.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 -2.6088 4.9103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8969 -3.1235 3.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 -4.5450 3.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -5.2730 2.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0833 -4.5521 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 -5.1194 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1468 -4.3040 -1.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3507 -2.8171 -0.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5736 -2.1044 -2.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 -0.6213 -2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 0.0023 -3.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 1.4873 -3.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9035 2.1716 -2.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 1.9411 -2.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6735 1.5822 -3.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -6.0935 -8.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 -4.5247 -8.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4472 -4.5882 -7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 -4.7749 -7.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 -6.4955 -7.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1745 -6.2675 -5.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0552 -4.8526 -3.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1395 -2.7474 -4.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6504 -3.5730 -6.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9984 -5.2518 -4.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2002 -4.0861 -2.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1183 -1.7433 -3.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9062 -1.4869 -3.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 -2.8308 -1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 -2.7472 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7053 -0.0015 -1.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 -1.3829 1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5672 1.4161 -0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1071 1.9557 2.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4083 -0.4662 2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1920 -0.4771 3.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7560 1.6981 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6734 2.0354 5.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0422 0.2052 5.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6528 -0.0963 3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6808 2.5985 4.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 2.9399 2.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 -0.0074 2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 1.2734 0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2787 0.0072 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 1.7486 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 2.0769 5.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1509 0.7387 5.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 0.1845 5.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 1.3336 2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1902 1.8956 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7302 1.7677 1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9502 2.1171 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 5.7080 -0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 5.2212 -2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 7.5253 -1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3270 7.8053 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0717 5.8087 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5720 4.0714 3.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2884 3.2409 5.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8064 1.9759 4.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6949 5.1828 -0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4038 6.1631 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7116 5.5962 -2.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4899 7.3805 -3.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1492 -3.0077 3.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 -2.6362 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2988 -4.7135 2.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 -5.0043 4.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7249 -5.2145 2.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5624 -6.2999 2.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1259 -3.4602 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 -4.6264 0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 -5.1944 0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7665 -6.1521 -0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -4.4909 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0683 -4.6175 -1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4162 -2.3602 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2224 -2.6267 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 -2.5484 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7334 -2.3450 -2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 -0.1764 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6089 -0.4106 -1.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2808 -0.3118 -4.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9979 -0.4032 -3.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2799 1.9025 -4.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4948 2.9167 -3.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1324 1.4235 -2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 2.6486 -1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 3.0314 -2.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 1.4489 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 0.5495 -3.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4551 1.8296 -2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8599 2.3468 -4.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 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 43 44 2 0 44 45 1 0 45 46 1 0 45 47 2 0 47 48 1 0 48 49 2 0 41 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 27 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 52 39 1 0 48 42 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 22100 1 0 22101 1 0 26102 1 0 26103 1 0 27104 1 1 28105 1 0 28106 1 0 32107 1 0 36108 1 0 38109 1 0 38110 1 0 39111 1 6 41112 1 1 43113 1 0 44114 1 0 46115 1 0 46116 1 0 50117 1 1 51118 1 0 52119 1 6 53120 1 0 57121 1 0 57122 1 0 58123 1 0 58124 1 0 59125 1 0 59126 1 0 60127 1 0 60128 1 0 61129 1 0 61130 1 0 62131 1 0 62132 1 0 63133 1 0 63134 1 0 64135 1 0 64136 1 0 65137 1 0 65138 1 0 66139 1 0 66140 1 0 67141 1 0 68142 1 0 68143 1 0 68144 1 0 69145 1 0 69146 1 0 70147 1 0 70148 1 0 70149 1 0 M END