HMDB0013213 RDKit 3D Alpha-Linoleoylcholine 70 69 0 0 0 0 0 0 0 0999 V2000 -9.2558 0.5339 2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9786 0.9714 2.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8208 0.0589 2.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6394 0.1147 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4924 -0.7725 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3704 -0.6748 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -0.2423 -1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 0.1981 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 1.6022 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 1.9837 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5619 1.0317 -1.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 1.1921 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 0.3510 -4.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 0.3839 -3.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5152 -0.0143 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -1.4224 -1.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5365 -1.8676 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -1.8963 -0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7879 -1.6283 -1.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5214 -2.2175 0.8814 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 -2.2410 1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 -0.9374 0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1243 0.1202 1.7235 N 0 0 0 0 0 4 0 0 0 0 0 0 7.2128 0.9841 2.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2327 0.9512 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 -0.3282 2.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1149 0.9759 2.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2667 0.9180 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3043 -0.5687 2.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7290 1.9858 2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1086 1.0354 4.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9326 0.4695 3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0731 -0.9684 2.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5986 -0.1968 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4675 1.1735 0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9106 -1.8271 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6288 -0.7279 1.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -0.9826 -1.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -0.1732 -2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 0.1467 0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3193 -0.5476 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 2.3792 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 3.0449 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6606 0.0123 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3459 1.4245 -1.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 2.2896 -3.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 1.0659 -3.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.7180 -4.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.6456 -5.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 1.4612 -3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6759 -0.1653 -4.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 -0.0850 -2.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 0.7272 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0311 -1.5474 -2.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -2.1335 -2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0405 -2.8377 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -1.1393 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0724 -2.6645 2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3202 -3.0197 0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5558 -0.6449 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6791 -1.0775 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2854 1.8883 1.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 1.3335 3.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1970 0.4718 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 0.8087 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3097 2.0300 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.5907 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 -1.1346 3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3353 -0.5069 2.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3536 0.5538 3.5824 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 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 24 62 1 0 24 63 1 0 24 64 1 0 25 65 1 0 25 66 1 0 25 67 1 0 26 68 1 0 26 69 1 0 26 70 1 0 M CHG 1 23 1 M END