HMDB0061864 RDKit 3D Dihomolinoleic acid 52 51 0 0 0 0 0 0 0 0999 V2000 -7.7134 1.2945 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9017 0.1028 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0713 -0.3410 -0.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2133 -1.5237 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2258 -1.2617 0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3075 -0.1788 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9918 -0.2290 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -1.4640 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 -1.6131 0.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -0.6953 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9231 0.7161 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 1.3956 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 1.0634 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7429 -0.2309 -1.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 -0.9065 -0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8109 -0.2942 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 0.9803 0.8774 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0086 1.4186 1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 2.4763 2.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1405 0.6973 1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6374 1.4392 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9121 1.2376 -0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 2.2080 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2774 0.4617 1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5817 -0.7042 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5314 0.4998 -1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8127 -0.6761 -1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7462 -1.9236 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8949 -2.3304 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 -1.0009 1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -2.2380 1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7616 0.8184 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 0.6800 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -2.3974 0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2962 -2.7074 0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -0.7906 1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -1.1392 -0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3768 0.9344 -0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 1.3252 0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7789 1.3438 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9661 2.5054 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 1.8985 -1.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4673 1.2056 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5473 0.0051 -2.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1501 -0.9833 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 -1.9315 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -1.2154 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5585 -0.1381 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 -1.0777 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 1.8022 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 0.8294 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4691 0.6525 0.1139 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 2 0 9 10 1 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 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 15 47 1 0 16 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 20 52 1 0 M END